2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine

C187H250BrCl6F7N22O — CID 159055381

IUPAC2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=Cc1ncccc1C(C)C.CC(C)c1cc(F)cnc1Cl.CC(C)c1cccnc1.CC(C)c1cccnc1Br.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1C(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1Cl.CC(C)c1ncccc1Cl.CCc1ncccc1C(C)C.COc1ncccc1C(C)C.Cc1cc(Cl)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.Cc1cnc(C)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(Cl)cc1C(C)C.Cc1ncccc1C(C)C.[C-]#[N+]c1ncc(C)cc1C(C)C
InChIInChI=1S/C10H12N2.3C10H15N.C10H13N.2C9H12ClN.C9H10F3N.C9H11F2N.C9H13NO.4C9H13N.C8H10BrN.C8H9ClFN.3C8H10ClN.C8H10FN.C8H11N/c1-7(2)9-5-8(3)6-12-10(9)11-4;1-7(2)10-5-8(3)6-11-9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;2*1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)9-4-8(10)5-11-7(9)3;1-6(2)8-5-11-7(3)4-9(8)10;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)7-4-3-5-12-8(7)9(10)11;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-3-6(10)4-11-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;2*1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-4-3-5-9-6-8/h5-7H,1-3H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1H2,2-3H3;2*4-6H,1-3H3;3-6H,1-2H3;3-6,9H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4*3-6H,1-2H3;3-7H,1-2H3
InChIKeyJXUCSXMKZGNWLE-UHFFFAOYSA-N
MW3247.82 g/mol
LogP58.38
Rot. Bonds25

About 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine

2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159055381) has the molecular formula C187H250BrCl6F7N22O and a molecular weight of 3247.82 g/mol. Its IUPAC name is 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID159055381
Molecular FormulaC187H250BrCl6F7N22O
Molecular Weight3247.82 g/mol
Exact Mass3241.74
IUPAC Name2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=Cc1ncccc1C(C)C.CC(C)c1cc(F)cnc1Cl.CC(C)c1cccnc1.CC(C)c1cccnc1Br.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1C(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1Cl.CC(C)c1ncccc1Cl.CCc1ncccc1C(C)C.COc1ncccc1C(C)C.Cc1cc(Cl)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.Cc1cnc(C)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(Cl)cc1C(C)C.Cc1ncccc1C(C)C.[C-]#[N+]c1ncc(C)cc1C(C)C
InChIInChI=1S/C10H12N2.3C10H15N.C10H13N.2C9H12ClN.C9H10F3N.C9H11F2N.C9H13NO.4C9H13N.C8H10BrN.C8H9ClFN.3C8H10ClN.C8H10FN.C8H11N/c1-7(2)9-5-8(3)6-12-10(9)11-4;1-7(2)10-5-8(3)6-11-9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;2*1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)9-4-8(10)5-11-7(9)3;1-6(2)8-5-11-7(3)4-9(8)10;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)7-4-3-5-12-8(7)9(10)11;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-3-6(10)4-11-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;2*1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-4-3-5-9-6-8/h5-7H,1-3H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1H2,2-3H3;2*4-6H,1-3H3;3-6H,1-2H3;3-6,9H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4*3-6H,1-2H3;3-7H,1-2H3
InChIKeyJXUCSXMKZGNWLE-UHFFFAOYSA-N
XLogP58.38
TPSA284.28 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003247.82
LogP ≤ 558.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-difluoro-5-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;3-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine
CID 157119184
3-Bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine
CID 157209488
2,6-Dichloro-3,4-dimethylpyridine;2,6-difluoro-3,4-dimethylpyridine;2,6-dimethoxy-3,4-dimethylpyridine;3,4-dimethyl-2,6-bis(trifluoromethyl)pyridine;3,4-dimethyl-2,6-dipyridin-4-ylpyridine;4,5-dimethyl-2-(trifluoromethyl)pyridine;6-isocyano-4,5-dimethylpyridine-2-carbonitrile
CID 157548124
5-Tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 157613414
5-Tert-butyl-2-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;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 157678270
2-Chloro-4-methylpyridine;3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,5-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;3,5-dichloro-4-methylpyridine;2-methoxy-3-methylpyridine;2-methylpyridine
CID 157748845
2-bromo-5-methylpyridine;6-chloro-2,3-dimethylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;3-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;N-(4-methyl-2-pyridinyl)acetamide;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine
CID 158148387
3-Bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;methane
CID 158191903
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-5-chloropyridine;5-tert-butyl-2-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 158294741
5-Tert-butyl-2-chloropyridine;3-tert-butyl-2,5-dichloropyridine;3-tert-butyl-2,6-dimethoxypyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 158295257
tris(3-chloro-5-methyl-2-propan-2-ylpyridine);2,6-dimethyl-3-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;2-methoxy-6-methyl-3-propan-2-ylpyridine;6-methoxy-3-propan-2-yl-2-(trifluoromethyl)pyridine;6-methyl-3-propan-2-ylpyridin-2-amine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-3-(trifluoromethyl)pyridine;6-methyl-3-propan-2-yl-2-(trifluoromethyl)pyridine;N,N,2-trimethyl-5-propan-2-ylpyridin-4-amine;N,N,5-trimethyl-2-propan-2-ylpyridin-3-amine;bis(N,N,6-trimethyl-3-propan-2-ylpyridin-2-amine);N,N,6-trimethyl-5-propan-2-ylpyridin-2-amine
CID 158483060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159055381) is 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine is C=Cc1ncccc1C(C)C.CC(C)c1cc(F)cnc1Cl.CC(C)c1cccnc1.CC(C)c1cccnc1Br.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1C(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1Cl.CC(C)c1ncccc1Cl.CCc1ncccc1C(C)C.COc1ncccc1C(C)C.Cc1cc(Cl)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccncc1C(C)C.Cc1cnc(C)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(Cl)cc1C(C)C.Cc1ncccc1C(C)C.[C-]#[N+]c1ncc(C)cc1C(C)C.
What is the InChIKey of 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is JXUCSXMKZGNWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.3C10H15N.C10H13N.2C9H12ClN.C9H10F3N.C9H11F2N.C9H13NO.4C9H13N.C8H10BrN.C8H9ClFN.3C8H10ClN.C8H10FN.C8H11N/c1-7(2)9-5-8(3)6-12-10(9)11-4;1-7(2)10-5-8(3)6-11-9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;2*1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)9-4-8(10)5-11-7(9)3;1-6(2)8-5-11-7(3)4-9(8)10;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)7-4-3-5-12-8(7)9(10)11;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-4-3-5-10-8(7)9;1-5(2)7-3-6(10)4-11-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;2*1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-4-3-5-9-6-8/h5-7H,1-3H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1H2,2-3H3;2*4-6H,1-3H3;3-6H,1-2H3;3-6,9H,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4*3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3247.82 g/mol, XLogP of 58.38, 25 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-propan-2-ylpyridine;2-chloro-5-fluoro-3-propan-2-ylpyridine;4-chloro-2-methyl-5-propan-2-ylpyridine;5-chloro-2-methyl-3-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-(difluoromethyl)-3-propan-2-ylpyridine;2,5-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethenyl-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-isocyano-5-methyl-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159055381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).