2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C203H280Cl2F13N27O2S — CID 159870476

IUPAC2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(O)c1cccnc1C(C)(C)C.Cc1cc(C(F)(F)F)cc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)c(F)c1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H15N.C12H14N2.C11H14F3N.C11H17NO.C11H15NO.2C10H12F3N.C10H14FN.3C10H15N.C9H12ClN.2C9H12FN.2C9H14N2.C9H13N.C8H11ClN2.C8H11FN2.C8H12N2.C7H11NS/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-7-5-8(11(12,13)14)6-9(15-7)10(2,3)4;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;2*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6/h4-9H,1-3H3;4-8H,1-3H3;5-6H,1-4H3;5-8,13H,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;3*4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyNSGXFLHZSUBSCM-UHFFFAOYSA-N
MW3480.61 g/mol
LogP56.03
Rot. Bonds2

About 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 159870476) has the molecular formula C203H280Cl2F13N27O2S and a molecular weight of 3480.61 g/mol. Its IUPAC name is 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID159870476
Molecular FormulaC203H280Cl2F13N27O2S
Molecular Weight3480.61 g/mol
Exact Mass3477.15
IUPAC Name2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(O)c1cccnc1C(C)(C)C.Cc1cc(C(F)(F)F)cc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)c(F)c1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H15N.C12H14N2.C11H14F3N.C11H17NO.C11H15NO.2C10H12F3N.C10H14FN.3C10H15N.C9H12ClN.2C9H12FN.2C9H14N2.C9H13N.C8H11ClN2.C8H11FN2.C8H12N2.C7H11NS/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-7-5-8(11(12,13)14)6-9(15-7)10(2,3)4;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;2*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6/h4-9H,1-3H3;4-8H,1-3H3;5-6H,1-4H3;5-8,13H,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;3*4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyNSGXFLHZSUBSCM-UHFFFAOYSA-N
XLogP56.03
TPSA385.33 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds2
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003480.61
LogP ≤ 556.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
CID 158039022
2-Tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 158630103
2-Tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
CID 159266148
2-Tert-butyl-4-chloropyridine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
CID 161030070
2-Tert-butyl-4-chloropyridine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 161596161
2-Tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
CID 162002091
2-Tert-butyl-4-chloropyridine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
CID 163490144
2-Tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
CID 163659110

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 159870476) is 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(O)c1cccnc1C(C)(C)C.Cc1cc(C(F)(F)F)cc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)c(F)c1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is NSGXFLHZSUBSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H14N2.C11H14F3N.C11H17NO.C11H15NO.2C10H12F3N.C10H14FN.3C10H15N.C9H12ClN.2C9H12FN.2C9H14N2.C9H13N.C8H11ClN2.C8H11FN2.C8H12N2.C7H11NS/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-7-5-8(11(12,13)14)6-9(15-7)10(2,3)4;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-7-5-8(11)9(12-6-7)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;2*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6/h4-9H,1-3H3;4-8H,1-3H3;5-6H,1-4H3;5-8,13H,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;3*5-7H,1-4H3;3*4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;2*4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?
2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 3480.61 g/mol, XLogP of 56.03, 2 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloropyridine;2-tert-butyl-4-chloropyrimidine;2-tert-butyl-3-fluoro-5-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-5-methylpyrimidine);2-tert-butyl-6-methyl-4-(trifluoromethyl)pyridine;2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 159870476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).