3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine

C176H264Cl2F4N30O3 — CID 161141450

IUPAC3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cnccc1Cl.CN(C)c1cc(C(C)(C)C)cnn1.CN1CCN(c2cc(C(C)(C)C)cnn2)CC1.CN1CCN(c2ccncc2C(C)(C)C)CC1.COc1ccncc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cc(C(C)(C)C)cnn1.Cc1cc(C(C)(C)C)cnn1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C14H23N3.C13H22N4.C10H12F3N.C10H17N3.3C10H15NO.2C10H15N.2C9H12ClN.C9H12FN.2C9H14N2.2C9H13N.C8H13N3.C8H12N2/c1-14(2,3)12-11-15-6-5-13(12)17-9-7-16(4)8-10-17;1-13(2,3)11-9-12(15-14-10-11)17-7-5-16(4)6-8-17;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)8-6-9(13(4)5)12-11-7-8;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-7-11-6-5-9(8)12-4;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-9(10(2,3)4)6-5-7-11-8;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)7-6-11-5-4-8(7)10;2*1-9(2,3)7-5-4-6-11-8(7)10;2*1-7-5-8(6-10-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-5-10-7(9)11-6;1-8(2,3)7-5-4-6-9-10-7/h5-6,11H,7-10H2,1-4H3;9-10H,5-8H2,1-4H3;4-6H,1-3H3;6-7H,1-5H3;3*5-7H,1-4H3;5-7H,1-4H3;4-6,8H,7H2,1-3H3;3*4-6H,1-3H3;2*5-6H,1-4H3;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3
InChIKeyUNMPSMCWFZHASH-UHFFFAOYSA-N
MW2995.15 g/mol
LogP42.05
Rot. Bonds7

About 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine

3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine (PubChem CID 161141450) has the molecular formula C176H264Cl2F4N30O3 and a molecular weight of 2995.15 g/mol. Its IUPAC name is 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
PubChem CID161141450
Molecular FormulaC176H264Cl2F4N30O3
Molecular Weight2995.15 g/mol
Exact Mass2992.07
IUPAC Name3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cnccc1Cl.CN(C)c1cc(C(C)(C)C)cnn1.CN1CCN(c2cc(C(C)(C)C)cnn2)CC1.CN1CCN(c2ccncc2C(C)(C)C)CC1.COc1ccncc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cc(C(C)(C)C)cnn1.Cc1cc(C(C)(C)C)cnn1.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C14H23N3.C13H22N4.C10H12F3N.C10H17N3.3C10H15NO.2C10H15N.2C9H12ClN.C9H12FN.2C9H14N2.2C9H13N.C8H13N3.C8H12N2/c1-14(2,3)12-11-15-6-5-13(12)17-9-7-16(4)8-10-17;1-13(2,3)11-9-12(15-14-10-11)17-7-5-16(4)6-8-17;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)8-6-9(13(4)5)12-11-7-8;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-7-11-6-5-9(8)12-4;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-9(10(2,3)4)6-5-7-11-8;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)7-6-11-5-4-8(7)10;2*1-9(2,3)7-5-4-6-11-8(7)10;2*1-7-5-8(6-10-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-5-10-7(9)11-6;1-8(2,3)7-5-4-6-9-10-7/h5-6,11H,7-10H2,1-4H3;9-10H,5-8H2,1-4H3;4-6H,1-3H3;6-7H,1-5H3;3*5-7H,1-4H3;5-7H,1-4H3;4-6,8H,7H2,1-3H3;3*4-6H,1-3H3;2*5-6H,1-4H3;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3
InChIKeyUNMPSMCWFZHASH-UHFFFAOYSA-N
XLogP42.05
TPSA379.27 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds7
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002995.15
LogP ≤ 542.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine
CID 157098746
2-Tert-butyl-5-chloropyridine;3-tert-butyl-2,5-dichloropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;3-tert-butyl-2-methylpyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 158293694
2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;1-chloro-3-(3,3-dimethylbutyl)benzene;3-chloro-2-(2,2-dimethylpropyl)pyridine;1-chloro-2-(3-methylbutyl)benzene;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158580826
1-benzyl-2-(2-methylpropyl)imidazole;5-chloro-2-(2,2-dimethylpropyl)pyrimidine;1-cyclopentyl-3-(2-methylpropyl)pyrazole;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
CID 158985653
2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159231423
2-(1,1-difluoroethyl)-5-(2,2-dimethylpropyl)pyridine;2-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)pyridine;4-(1,1-difluoroethyl)-2-(2,2-dimethylpropyl)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-fluoro-2-(2-methylpropyl)pyridine;3-methoxy-2-(2-methylpropyl)pyridine;2-methyl-5-(2-methylpropyl)pyrazine
CID 159472024
CID 159685320
CID 159685320
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-amine
CID 159764390
Bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
CID 159972216
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butyl-1,3-difluorobenzene;2-tert-butyl-N,N-dimethylaniline;5-tert-butyl-N,N-dimethylpyridazin-3-amine;4-tert-butyl-N,N-dimethylpyridin-2-amine;5-tert-butyl-N,N-dimethylpyridin-2-amine;1-tert-butyl-2-fluorobenzene;3-tert-butyl-2-fluoropyridine;4-tert-butyl-3-iodopyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine-3-carbonitrile;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-tert-butyl-2-(trifluoromethyl)benzene;3-tert-butyl-2-(trifluoromethyl)pyridine
CID 160048214
2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
CID 160307021
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyrimidin-4-amine;5-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 160400246

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine (CID 161141450) is 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1C(F)(F)F.CC(C)(C)c1cccnc1Cl.CC(C)(C)c1cccnc1F.CC(C)(C)c1cccnn1.CC(C)(C)c1ccnc(N)n1.CC(C)(C)c1cnccc1Cl.CN(C)c1cc(C(C)(C)C)cnn1.CN1CCN(c2cc(C(C)(C)C)cnn2)CC1.CN1CCN(c2ccncc2C(C)(C)C)CC1.COc1ccncc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cc(C(C)(C)C)cnn1.Cc1cc(C(C)(C)C)cnn1.Cc1ncccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
The InChIKey is UNMPSMCWFZHASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C13H22N4.C10H12F3N.C10H17N3.3C10H15NO.2C10H15N.2C9H12ClN.C9H12FN.2C9H14N2.2C9H13N.C8H13N3.C8H12N2/c1-14(2,3)12-11-15-6-5-13(12)17-9-7-16(4)8-10-17;1-13(2,3)11-9-12(15-14-10-11)17-7-5-16(4)6-8-17;1-9(2,3)7-5-4-6-14-8(7)10(11,12)13;1-10(2,3)8-6-9(13(4)5)12-11-7-8;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-7-11-6-5-9(8)12-4;1-10(2,3)8-6-5-7-11-9(8)12-4;1-8-9(10(2,3)4)6-5-7-11-8;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)7-6-11-5-4-8(7)10;2*1-9(2,3)7-5-4-6-11-8(7)10;2*1-7-5-8(6-10-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-5-10-7(9)11-6;1-8(2,3)7-5-4-6-9-10-7/h5-6,11H,7-10H2,1-4H3;9-10H,5-8H2,1-4H3;4-6H,1-3H3;6-7H,1-5H3;3*5-7H,1-4H3;5-7H,1-4H3;4-6,8H,7H2,1-3H3;3*4-6H,1-3H3;2*5-6H,1-4H3;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11);4-6H,1-3H3.
What are the key properties of 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine?
3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine has a molecular weight of 2995.15 g/mol, XLogP of 42.05, 7 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-chloropyridine;3-tert-butyl-4-chloropyridine;5-tert-butyl-N,N-dimethylpyridazin-3-amine;3-tert-butyl-2-fluoropyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-4-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-3-(4-methylpiperazin-1-yl)pyridazine;bis(5-tert-butyl-3-methylpyridazine);3-tert-butyl-2-methylpyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;1-(3-tert-butyl-4-pyridinyl)-4-methylpiperazine;4-tert-butylpyrimidin-2-amine;3-tert-butyl-2-(trifluoromethyl)pyridine;3-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 161141450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).