2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid

C174H122F27N11O10 — CID 160696486

IUPAC2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccnc1-c1cccc(-c2ccccc2C(F)(F)F)c1.COC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.COC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.Cc1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.Cc1cccnc1-c1cccc(-c2ccccc2C(F)(F)F)c1.Cc1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.NC(=O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.NC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.O=C(O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/3C20H14F3NO2.2C19H13F3N2O.C19H12F3NO2.3C19H14F3N/c1-26-19(25)16-9-5-11-24-18(16)14-7-4-6-13(12-14)15-8-2-3-10-17(15)20(21,22)23;2*1-26-19(25)15-9-10-24-18(12-15)14-6-4-5-13(11-14)16-7-2-3-8-17(16)20(21,22)23;20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(24-16)18(23)25;20-19(21,22)16-7-2-1-6-15(16)12-4-3-5-13(10-12)17-11-14(18(23)25)8-9-24-17;20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(23-16)18(24)25;1-13-6-5-11-23-18(13)15-8-4-7-14(12-15)16-9-2-3-10-17(16)19(20,21)22;1-13-6-4-11-18(23-13)15-8-5-7-14(12-15)16-9-2-3-10-17(16)19(20,21)22;1-13-9-10-23-18(11-13)15-6-4-5-14(12-15)16-7-2-3-8-17(16)19(20,21)22/h3*2-12H,1H3;2*1-11H,(H2,23,25);1-11H,(H,24,25);3*2-12H,1H3
InChIKeyRQBGNEXYPSOTMF-UHFFFAOYSA-N
MW3039.90 g/mol
LogP47.09
Rot. Bonds24

About 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid

2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 160696486) has the molecular formula C174H122F27N11O10 and a molecular weight of 3039.90 g/mol. Its IUPAC name is 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID160696486
Molecular FormulaC174H122F27N11O10
Molecular Weight3039.90 g/mol
Exact Mass3037.89
IUPAC Name2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
SMILESCOC(=O)c1cccnc1-c1cccc(-c2ccccc2C(F)(F)F)c1.COC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.COC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.Cc1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.Cc1cccnc1-c1cccc(-c2ccccc2C(F)(F)F)c1.Cc1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.NC(=O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.NC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.O=C(O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1
InChIInChI=1S/3C20H14F3NO2.2C19H13F3N2O.C19H12F3NO2.3C19H14F3N/c1-26-19(25)16-9-5-11-24-18(16)14-7-4-6-13(12-14)15-8-2-3-10-17(15)20(21,22)23;2*1-26-19(25)15-9-10-24-18(12-15)14-6-4-5-13(11-14)16-7-2-3-8-17(16)20(21,22)23;20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(24-16)18(23)25;20-19(21,22)16-7-2-1-6-15(16)12-4-3-5-13(10-12)17-11-14(18(23)25)8-9-24-17;20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(23-16)18(24)25;1-13-6-5-11-23-18(13)15-8-4-7-14(12-15)16-9-2-3-10-17(16)19(20,21)22;1-13-6-4-11-18(23-13)15-8-5-7-14(12-15)16-9-2-3-10-17(16)19(20,21)22;1-13-9-10-23-18(11-13)15-6-4-5-14(12-15)16-7-2-3-8-17(16)19(20,21)22/h3*2-12H,1H3;2*1-11H,(H2,23,25);1-11H,(H,24,25);3*2-12H,1H3
InChIKeyRQBGNEXYPSOTMF-UHFFFAOYSA-N
XLogP47.09
TPSA318.39 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003039.90
LogP ≤ 547.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

Methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87802068
2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 123528465
2-Methyl-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid
CID 157159584
ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate;4-methyl-6-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 157275795
benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(3-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 157545308
2-Methoxy-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylate;methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate;methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylate;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid
CID 157798340
sodium;methyl 4-aminopyridine-2-carboxylate;(E)-3-[3-[(3-methylbenzoyl)amino]phenyl]prop-2-enoic acid;methyl 4-[[(E)-3-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoyl]amino]pyridine-2-carboxylate;4-[[(E)-3-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoyl]amino]pyridine-2-carboxylic acid;hydroxide
CID 157988413
N-[3-[(4aS,6S)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(6-amino-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-(6-hydroxy-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158017695
3-(3-Fluoro-2-pyridinyl)propanal;3-(6-fluoro-2-pyridinyl)propanal;3-(5-hydroxy-2-pyridinyl)propanal;3-[3-(6-methoxy-3-pyridinyl)phenyl]propanal;3-[3-(6-methyl-3-pyridinyl)phenyl]propanal;5-[3-(3-oxopropyl)phenyl]pyridine-2-carboxylic acid;3-pyridin-2-ylpropanal;3-pyridin-3-ylpropanal;3-pyridin-4-ylpropanal;3-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propanal
CID 158230669
Tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate
CID 158549359
Ethyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159227653
sodium;ethyl 5-aminopyridine-3-carboxylate;bis(ethyl 5-[[(E)-3-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoyl]amino]pyridine-3-carboxylate);(E)-3-[3-[(3-methylbenzoyl)amino]phenyl]prop-2-enoic acid;5-[[(E)-3-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoyl]amino]pyridine-3-carboxylic acid;hydroxide
CID 159404171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid (CID 160696486) is 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid is COC(=O)c1cccnc1-c1cccc(-c2ccccc2C(F)(F)F)c1.COC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.COC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.Cc1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.Cc1cccnc1-c1cccc(-c2ccccc2C(F)(F)F)c1.Cc1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.NC(=O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.NC(=O)c1ccnc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1.O=C(O)c1cccc(-c2cccc(-c3ccccc3C(F)(F)F)c2)n1.
What is the InChIKey of 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is RQBGNEXYPSOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H14F3NO2.2C19H13F3N2O.C19H12F3NO2.3C19H14F3N/c1-26-19(25)16-9-5-11-24-18(16)14-7-4-6-13(12-14)15-8-2-3-10-17(15)20(21,22)23;2*1-26-19(25)15-9-10-24-18(12-15)14-6-4-5-13(11-14)16-7-2-3-8-17(16)20(21,22)23;20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(24-16)18(23)25;20-19(21,22)16-7-2-1-6-15(16)12-4-3-5-13(10-12)17-11-14(18(23)25)8-9-24-17;20-19(21,22)15-8-2-1-7-14(15)12-5-3-6-13(11-12)16-9-4-10-17(23-16)18(24)25;1-13-6-5-11-23-18(13)15-8-4-7-14(12-15)16-9-2-3-10-17(16)19(20,21)22;1-13-6-4-11-18(23-13)15-8-5-7-14(12-15)16-9-2-3-10-17(16)19(20,21)22;1-13-9-10-23-18(11-13)15-6-4-5-14(12-15)16-7-2-3-8-17(16)19(20,21)22/h3*2-12H,1H3;2*1-11H,(H2,23,25);1-11H,(H,24,25);3*2-12H,1H3.
What are the key properties of 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid?
2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 3039.90 g/mol, XLogP of 47.09, 24 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 160696486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).