5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)

C176H225Cl7F15N21O3 — CID 158080717

IUPAC5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)
SMILESC=C(c1cnc(C(C)C)c(Cl)c1)N(C)C.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(CCO)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(CO)cc1Cl.CC(C)c1ncc(Cl)cc1Cl.CC(C)c1ncc(Cl)cc1F.CCc1ccc(C(C)C)nc1.CCc1ccc(C(C)C)nc1C.CCc1cnc(C(C)C)c(C)c1.CCc1cnc(C(C)C)cc1C.[C-]#[N+]c1cc(Cl)cnc1C(C)C
InChIInChI=1S/C14H15N.C12H17ClN2.3C11H17N.2C10H15NO.C10H15N.C9H9ClF3N.C9H9ClN2.C9H12ClNO.C9H9F4N.2C9H10F3N.C9H10N2.C8H9Cl2N.C8H9ClFN.C8H10FN/c1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-8(2)12-11(13)6-10(7-14-12)9(3)15(4)5;1-5-10-7-12-11(8(2)3)6-9(10)4;1-5-10-6-9(4)11(8(2)3)12-7-10;1-5-10-6-7-11(8(2)3)12-9(10)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-8(2)10-4-3-9(5-6-12)7-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-8(11-3)4-7(10)5-12-9;1-6(2)9-8(10)3-7(5-12)4-11-9;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;2*1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;2*1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)8-4-3-7(9)5-10-8/h3-11H,1-2H3;6-8H,3H2,1-2,4-5H3;3*6-8H,5H2,1-4H3;4-8,12H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;5-8H,4H2,1-3H3;3-5H,1-2H3;4-6H,1-2H3;3-4,6,12H,5H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-4,6-7H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyFMXOBFUSLHPPTR-UHFFFAOYSA-N
MW3216.02 g/mol
LogP53.63
Rot. Bonds29

About 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)

5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine) (PubChem CID 158080717) has the molecular formula C176H225Cl7F15N21O3 and a molecular weight of 3216.02 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine).

Molecular Properties

Compound Name5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)
PubChem CID158080717
Molecular FormulaC176H225Cl7F15N21O3
Molecular Weight3216.02 g/mol
Exact Mass3210.57
IUPAC Name5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)
SMILESC=C(c1cnc(C(C)C)c(Cl)c1)N(C)C.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(CCO)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(CO)cc1Cl.CC(C)c1ncc(Cl)cc1Cl.CC(C)c1ncc(Cl)cc1F.CCc1ccc(C(C)C)nc1.CCc1ccc(C(C)C)nc1C.CCc1cnc(C(C)C)c(C)c1.CCc1cnc(C(C)C)cc1C.[C-]#[N+]c1cc(Cl)cnc1C(C)C
InChIInChI=1S/C14H15N.C12H17ClN2.3C11H17N.2C10H15NO.C10H15N.C9H9ClF3N.C9H9ClN2.C9H12ClNO.C9H9F4N.2C9H10F3N.C9H10N2.C8H9Cl2N.C8H9ClFN.C8H10FN/c1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-8(2)12-11(13)6-10(7-14-12)9(3)15(4)5;1-5-10-7-12-11(8(2)3)6-9(10)4;1-5-10-6-9(4)11(8(2)3)12-7-10;1-5-10-6-7-11(8(2)3)12-9(10)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-8(2)10-4-3-9(5-6-12)7-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-8(11-3)4-7(10)5-12-9;1-6(2)9-8(10)3-7(5-12)4-11-9;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;2*1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;2*1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)8-4-3-7(9)5-10-8/h3-11H,1-2H3;6-8H,3H2,1-2,4-5H3;3*6-8H,5H2,1-4H3;4-8,12H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;5-8H,4H2,1-3H3;3-5H,1-2H3;4-6H,1-2H3;3-4,6,12H,5H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-4,6-7H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3
InChIKeyFMXOBFUSLHPPTR-UHFFFAOYSA-N
XLogP53.63
TPSA324.10 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003216.02
LogP ≤ 553.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine) with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-3-chloro-5-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;5-tert-butyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-methyl-2,4-di(propan-2-yl)pyridine;3-methyl-2-propan-2-ylpyridine;2-(5-methyl-6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(5-methyl-6-propan-2-yl-3-pyridinyl)propan-2-ol;2-propan-2-yl-3,6-bis(trifluoromethyl)pyridine
CID 159697395
2-Tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine
CID 159972838
1-[2-(2-Chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol;1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(2-fluoro-3-pyridinyl)-2-pyridin-3-ylethanol;2,2-dipyridin-3-yl-1-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 160992469
2-tert-butyl-5-ethyl-4-methylpyridine;6-tert-butyl-3-ethyl-2-methylpyridine;2-tert-butyl-5-fluoropyridine;2-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-5-(trifluoromethyl)pyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 161201968
2-Tert-butyl-3-chloropyridine;2-tert-butyl-5-ethylpyridine;2-tert-butyl-6-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;bis(2-tert-butyl-6-fluoropyridine);2-tert-butyl-3-methylpyridine;tetrakis(2-tert-butyl-4-methylpyridine);tris(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);2-tert-butylpyridine;(2-tert-butyl-4-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;2,4-ditert-butylpyridine
CID 161770745
(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-(4-fluorophenyl)ethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(3,3-difluoropyrrolidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(2-fluoroethylideneamino)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-piperidin-1-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanol;molecular fluorine
CID 161791630
1-[2-(3,4-Dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 87704157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)?
The IUPAC name of 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine) (CID 158080717) is 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine).
What is the SMILES notation for 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)?
The canonical SMILES for 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine) is C=C(c1cnc(C(C)C)c(Cl)c1)N(C)C.CC(C)c1ccc(-c2ccccc2)cn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(CCO)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(CO)cc1Cl.CC(C)c1ncc(Cl)cc1Cl.CC(C)c1ncc(Cl)cc1F.CCc1ccc(C(C)C)nc1.CCc1ccc(C(C)C)nc1C.CCc1cnc(C(C)C)c(C)c1.CCc1cnc(C(C)C)cc1C.[C-]#[N+]c1cc(Cl)cnc1C(C)C.
What is the InChIKey of 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)?
The InChIKey is FMXOBFUSLHPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C12H17ClN2.3C11H17N.2C10H15NO.C10H15N.C9H9ClF3N.C9H9ClN2.C9H12ClNO.C9H9F4N.2C9H10F3N.C9H10N2.C8H9Cl2N.C8H9ClFN.C8H10FN/c1-11(2)14-9-8-13(10-15-14)12-6-4-3-5-7-12;1-8(2)12-11(13)6-10(7-14-12)9(3)15(4)5;1-5-10-7-12-11(8(2)3)6-9(10)4;1-5-10-6-9(4)11(8(2)3)12-7-10;1-5-10-6-7-11(8(2)3)12-9(10)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-8(2)10-4-3-9(5-6-12)7-11-10;1-4-9-5-6-10(8(2)3)11-7-9;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-6(2)9-8(11-3)4-7(10)5-12-9;1-6(2)9-8(10)3-7(5-12)4-11-9;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;2*1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;2*1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)8-4-3-7(9)5-10-8/h3-11H,1-2H3;6-8H,3H2,1-2,4-5H3;3*6-8H,5H2,1-4H3;4-8,12H,1-3H3;3-4,7-8,12H,5-6H2,1-2H3;5-8H,4H2,1-3H3;3-5H,1-2H3;4-6H,1-2H3;3-4,6,12H,5H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;3-4,6-7H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine)?
5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine) has a molecular weight of 3216.02 g/mol, XLogP of 53.63, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-propan-2-ylpyridine;5-chloro-3-isocyano-2-propan-2-ylpyridine;1-(5-chloro-6-propan-2-yl-3-pyridinyl)-N,N-dimethylethenamine;(5-chloro-6-propan-2-yl-3-pyridinyl)methanol;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;3-ethyl-2-methyl-6-propan-2-ylpyridine;5-ethyl-3-methyl-2-propan-2-ylpyridine;5-ethyl-4-methyl-2-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-(6-propan-2-yl-3-pyridinyl)ethanol;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine) is sourced from PubChem (CID 158080717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).