2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile

C225H323Cl3F8N23O19S7+ — CID 158060965

IUPAC2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)c(F)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)(C)c1ccc(S(C)(=O)=O)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)nc1F.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1F.CC(C)(C)c1cnc(Cl)cn1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1cnc(S(C)(=O)=O)nc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccnc(F)c1.CCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.COCCNC(=O)c1ccc(C(C)(C)C)cc1.CO[n+]1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccn1.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C15H25N3.C14H21NO2.2C12H18O2S.2C11H15FO2S.C10H12F3N.C10H14FNO2S.C10H15NO2S.C10H16NO.2C10H15NO.2C10H15N.C10H11N.C9H12ClN.C9H12FN.C9H14N2O2S.C9H13N.2C8H11ClN2.C8H10FN/c1-5-12-10-16-14(17-11-12)18-8-6-13(7-9-18)15(2,3)4;1-14(2,3)12-7-5-11(6-8-12)13(16)15-9-10-17-4;2*1-9-8-10(15(5,13)14)6-7-11(9)12(2,3)4;1-11(2,3)8-5-6-10(9(12)7-8)15(4,13)14;1-11(2,3)9-6-5-8(7-10(9)12)15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-5-6-8(12-9(7)11)15(4,13)14;1-10(2,3)8-5-6-9(11-7-8)14(4,12)13;1-10(2,3)9-5-7-11(12-4)8-6-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-11(4)9(12)7-8;2*1-8-7-11-6-5-9(8)10(2,3)4;1-8(2)10-5-3-9(7-11)4-6-10;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-5-10-8(11-6-7)14(4,12)13;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)6-4-10-7(9)11-5-6;1-6(2)7-3-4-10-8(9)5-7/h10-11,13H,5-9H2,1-4H3;5-8H,9-10H2,1-4H3,(H,15,16);2*6-8H,1-5H3;2*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;3-6,8H,1-2H3;2*4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;2*4-5H,1-3H3;3-6H,1-2H3/q;;;;;;;;;+1;;;;;;;;;;;;
InChIKeyFKQDKSQQMFKVRY-UHFFFAOYSA-N
MW4137.01 g/mol
LogP52.97
Rot. Bonds17

About 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile

2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile (PubChem CID 158060965) has the molecular formula C225H323Cl3F8N23O19S7+ and a molecular weight of 4137.01 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
PubChem CID158060965
Molecular FormulaC225H323Cl3F8N23O19S7+
Molecular Weight4137.01 g/mol
Exact Mass4132.20
IUPAC Name2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)c(F)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)(C)c1ccc(S(C)(=O)=O)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)nc1F.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1F.CC(C)(C)c1cnc(Cl)cn1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1cnc(S(C)(=O)=O)nc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccnc(F)c1.CCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.COCCNC(=O)c1ccc(C(C)(C)C)cc1.CO[n+]1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccn1.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C15H25N3.C14H21NO2.2C12H18O2S.2C11H15FO2S.C10H12F3N.C10H14FNO2S.C10H15NO2S.C10H16NO.2C10H15NO.2C10H15N.C10H11N.C9H12ClN.C9H12FN.C9H14N2O2S.C9H13N.2C8H11ClN2.C8H10FN/c1-5-12-10-16-14(17-11-12)18-8-6-13(7-9-18)15(2,3)4;1-14(2,3)12-7-5-11(6-8-12)13(16)15-9-10-17-4;2*1-9-8-10(15(5,13)14)6-7-11(9)12(2,3)4;1-11(2,3)8-5-6-10(9(12)7-8)15(4,13)14;1-11(2,3)9-6-5-8(7-10(9)12)15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-5-6-8(12-9(7)11)15(4,13)14;1-10(2,3)8-5-6-9(11-7-8)14(4,12)13;1-10(2,3)9-5-7-11(12-4)8-6-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-11(4)9(12)7-8;2*1-8-7-11-6-5-9(8)10(2,3)4;1-8(2)10-5-3-9(7-11)4-6-10;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-5-10-8(11-6-7)14(4,12)13;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)6-4-10-7(9)11-5-6;1-6(2)7-3-4-10-8(9)5-7/h10-11,13H,5-9H2,1-4H3;5-8H,9-10H2,1-4H3,(H,15,16);2*6-8H,1-5H3;2*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;3-6,8H,1-2H3;2*4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;2*4-5H,1-3H3;3-6H,1-2H3/q;;;;;;;;;+1;;;;;;;;;;;;
InChIKeyFKQDKSQQMFKVRY-UHFFFAOYSA-N
XLogP52.97
TPSA580.70 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds17
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004137.01
LogP ≤ 552.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Analyze 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;2-(4-tert-butylcyclohexyl)-5-ethylpyrimidine;4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
CID 159613797
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;1-tert-butyl-2-methyl-4-methylsulfonylbenzene;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 161987565
4-Tert-butylbenzonitrile;2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 167558457
1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 172973464
[4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-morpholin-4-ylmethanone;5-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]acetamide;N-[6-[3-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]methanesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-(2,3-dimethylphenyl)-4-N-[3-(6-methoxy-4-methyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[3-(6-methylsulfonyl-3-pyridinyl)propyl]pyrimidine-2,4-diamine
CID 158012794
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine
CID 158098348
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-6-methylsulfonylpyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine
CID 161641476

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile?
The IUPAC name of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile (CID 158060965) is 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile.
What is the SMILES notation for 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile?
The canonical SMILES for 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)c(F)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)(C)c1ccc(S(C)(=O)=O)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)nc1F.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1F.CC(C)(C)c1cnc(Cl)cn1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1cnc(S(C)(=O)=O)nc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccnc(F)c1.CCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.COCCNC(=O)c1ccc(C(C)(C)C)cc1.CO[n+]1ccc(C(C)(C)C)cc1.COc1cc(C(C)(C)C)ccn1.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile?
The InChIKey is FKQDKSQQMFKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C14H21NO2.2C12H18O2S.2C11H15FO2S.C10H12F3N.C10H14FNO2S.C10H15NO2S.C10H16NO.2C10H15NO.2C10H15N.C10H11N.C9H12ClN.C9H12FN.C9H14N2O2S.C9H13N.2C8H11ClN2.C8H10FN/c1-5-12-10-16-14(17-11-12)18-8-6-13(7-9-18)15(2,3)4;1-14(2,3)12-7-5-11(6-8-12)13(16)15-9-10-17-4;2*1-9-8-10(15(5,13)14)6-7-11(9)12(2,3)4;1-11(2,3)8-5-6-10(9(12)7-8)15(4,13)14;1-11(2,3)9-6-5-8(7-10(9)12)15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-5-6-8(12-9(7)11)15(4,13)14;1-10(2,3)8-5-6-9(11-7-8)14(4,12)13;1-10(2,3)9-5-7-11(12-4)8-6-9;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-11(4)9(12)7-8;2*1-8-7-11-6-5-9(8)10(2,3)4;1-8(2)10-5-3-9(7-11)4-6-10;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)7-5-10-8(11-6-7)14(4,12)13;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)6-4-10-7(9)11-5-6;1-6(2)7-3-4-10-8(9)5-7/h10-11,13H,5-9H2,1-4H3;5-8H,9-10H2,1-4H3,(H,15,16);2*6-8H,1-5H3;2*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-7H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;3-6,8H,1-2H3;2*4-6H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;2*4-5H,1-3H3;3-6H,1-2H3/q;;;;;;;;;+1;;;;;;;;;;;;.
What are the key properties of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile?
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile has a molecular weight of 4137.01 g/mol, XLogP of 52.97, 17 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile is sourced from PubChem (CID 158060965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).