2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid

C85H69F27N14O11 — CID 159561965

IUPAC2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.CC(=O)c1ccc(C(F)(F)F)nc1C(F)(F)F.CCOC(=O)c1ccc(C(F)(F)F)nc1N.Cc1nc(C(F)(F)F)ccc1C(=O)NC(C)(C)C.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1.Cc1nc(C(F)(F)F)ccc1C(N)=O.Nc1nc(C(F)(F)F)ccc1C(=O)O.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C14H11F3N2O.C14H10F3NO.C12H7F3N2O2.C12H15F3N2O.C9H5F6NO.C9H9F3N2O2.C8H7F3N2O.C7H5F3N2O2/c1-9-11(7-8-12(18-9)14(15,16)17)13(20)19-10-5-3-2-4-6-10;1-9(19)11-7-8-12(14(15,16)17)18-13(11)10-5-3-2-4-6-10;13-12(14,15)9-5-4-7(11(18)19)10(17-9)8-3-1-2-6-16-8;1-7-8(10(18)17-11(2,3)4)5-6-9(16-7)12(13,14)15;1-4(17)5-2-3-6(8(10,11)12)16-7(5)9(13,14)15;1-2-16-8(15)5-3-4-6(9(10,11)12)14-7(5)13;1-4-5(7(12)14)2-3-6(13-4)8(9,10)11;8-7(9,10)4-2-1-3(6(13)14)5(11)12-4/h2-8H,1H3,(H,19,20);2-8H,1H3;1-6H,(H,18,19);5-6H,1-4H3,(H,17,18);2-3H,1H3;3-4H,2H2,1H3,(H2,13,14);2-3H,1H3,(H2,12,14);1-2H,(H2,11,12)(H,13,14)
InChIKeyMGSSJKIMRYPEOW-UHFFFAOYSA-N
MW1975.52 g/mol
LogP21.50
Rot. Bonds12

About 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 159561965) has the molecular formula C85H69F27N14O11 and a molecular weight of 1975.52 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID159561965
Molecular FormulaC85H69F27N14O11
Molecular Weight1975.52 g/mol
Exact Mass1974.48
IUPAC Name2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.CC(=O)c1ccc(C(F)(F)F)nc1C(F)(F)F.CCOC(=O)c1ccc(C(F)(F)F)nc1N.Cc1nc(C(F)(F)F)ccc1C(=O)NC(C)(C)C.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1.Cc1nc(C(F)(F)F)ccc1C(N)=O.Nc1nc(C(F)(F)F)ccc1C(=O)O.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C14H11F3N2O.C14H10F3NO.C12H7F3N2O2.C12H15F3N2O.C9H5F6NO.C9H9F3N2O2.C8H7F3N2O.C7H5F3N2O2/c1-9-11(7-8-12(18-9)14(15,16)17)13(20)19-10-5-3-2-4-6-10;1-9(19)11-7-8-12(14(15,16)17)18-13(11)10-5-3-2-4-6-10;13-12(14,15)9-5-4-7(11(18)19)10(17-9)8-3-1-2-6-16-8;1-7-8(10(18)17-11(2,3)4)5-6-9(16-7)12(13,14)15;1-4(17)5-2-3-6(8(10,11)12)16-7(5)9(13,14)15;1-2-16-8(15)5-3-4-6(9(10,11)12)14-7(5)13;1-4-5(7(12)14)2-3-6(13-4)8(9,10)11;8-7(9,10)4-2-1-3(6(13)14)5(11)12-4/h2-8H,1H3,(H,19,20);2-8H,1H3;1-6H,(H,18,19);5-6H,1-4H3,(H,17,18);2-3H,1H3;3-4H,2H2,1H3,(H2,13,14);2-3H,1H3,(H2,12,14);1-2H,(H2,11,12)(H,13,14)
InChIKeyMGSSJKIMRYPEOW-UHFFFAOYSA-N
XLogP21.50
TPSA404.38 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001975.52
LogP ≤ 521.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-[4-[4-(4-Methoxycarbonylanilino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836486
Tert-butyl 4-[4-[4-(4-methoxycarbonylanilino)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]piperazine-1-carboxylate
CID 66836620
[4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexanecarbonyl]oxymethyl pyridine-3-carboxylate
CID 75202915
Methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87802068
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
CID 157245152
tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 157333021
Methyl 6-(aminomethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;methyl 6-isocyano-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;hydrochloride
CID 157385470
sodium;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;propan-2-yl 1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 157500178
1-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 157511555
N-(2-aminophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzamide;tert-butyl 4-fluorobenzoate;tert-butyl 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzoate;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzoic acid
CID 157698166
8-amino-N-(azetidin-3-yl)-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide;8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxylic acid;tert-butyl 3-aminoazetidine-1-carboxylate;tert-butyl 3-[[8-amino-2-(3-fluorophenyl)-1,7-naphthyridine-5-carbonyl]amino]azetidine-1-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 157953703
4-(1-Adamantylamino)-3-[[fluoro(pyridin-3-yl)methyl]amino]benzoic acid;4-(1-adamantylamino)-3-(1-pyridin-3-ylethylamino)benzoic acid;tert-butyl 4-(1-adamantylamino)-3-[[fluoro(pyrimidin-5-yl)methyl]amino]benzoate;tert-butyl 4-(1-adamantylamino)-3-(1-pyrimidin-5-ylethylamino)benzoate;propan-2-yl 4-(1-adamantylamino)-3-[[fluoro(pyrimidin-5-yl)methyl]amino]benzoate;propan-2-yl 4-(1-adamantylamino)-3-[(2,2,2-trifluoro-1-pyrimidin-5-ylethyl)amino]benzoate
CID 158124906

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 159561965) is 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.CC(=O)c1ccc(C(F)(F)F)nc1C(F)(F)F.CCOC(=O)c1ccc(C(F)(F)F)nc1N.Cc1nc(C(F)(F)F)ccc1C(=O)NC(C)(C)C.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1.Cc1nc(C(F)(F)F)ccc1C(N)=O.Nc1nc(C(F)(F)F)ccc1C(=O)O.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccn1.
What is the InChIKey of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is MGSSJKIMRYPEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O.C14H10F3NO.C12H7F3N2O2.C12H15F3N2O.C9H5F6NO.C9H9F3N2O2.C8H7F3N2O.C7H5F3N2O2/c1-9-11(7-8-12(18-9)14(15,16)17)13(20)19-10-5-3-2-4-6-10;1-9(19)11-7-8-12(14(15,16)17)18-13(11)10-5-3-2-4-6-10;13-12(14,15)9-5-4-7(11(18)19)10(17-9)8-3-1-2-6-16-8;1-7-8(10(18)17-11(2,3)4)5-6-9(16-7)12(13,14)15;1-4(17)5-2-3-6(8(10,11)12)16-7(5)9(13,14)15;1-2-16-8(15)5-3-4-6(9(10,11)12)14-7(5)13;1-4-5(7(12)14)2-3-6(13-4)8(9,10)11;8-7(9,10)4-2-1-3(6(13)14)5(11)12-4/h2-8H,1H3,(H,19,20);2-8H,1H3;1-6H,(H,18,19);5-6H,1-4H3,(H,17,18);2-3H,1H3;3-4H,2H2,1H3,(H2,13,14);2-3H,1H3,(H2,12,14);1-2H,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 1975.52 g/mol, XLogP of 21.50, 12 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 159561965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).