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

C96H65F24N9O14 — CID 159227653

IUPACethyl 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
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C15H11F4NO2.C14H9F4NO2.C14H11F3N2O2.C14H10F3NO2.C13H7F4NO2.C13H9F3N2O2.C13H8F3NO2/c1-2-22-14(21)11-7-8-12(15(17,18)19)20-13(11)9-3-5-10(16)6-4-9;1-21-13(20)10-6-7-11(14(16,17)18)19-12(10)8-2-4-9(15)5-3-8;1-2-21-13(20)9-6-7-11(14(15,16)17)19-12(9)10-5-3-4-8-18-10;1-20-13(19)10-7-8-11(14(15,16)17)18-12(10)9-5-3-2-4-6-9;14-8-3-1-7(2-4-8)11-9(12(19)20)5-6-10(18-11)13(15,16)17;1-20-12(19)8-5-6-10(13(14,15)16)18-11(8)9-4-2-3-7-17-9;14-13(15,16)10-7-6-9(12(18)19)11(17-10)8-4-2-1-3-5-8/h3-8H,2H2,1H3;2-7H,1H3;3-8H,2H2,1H3;2-8H,1H3;1-6H,(H,19,20);2-7H,1H3;1-7H,(H,18,19)
InChIKeyKSMMZXVVAIIRQW-UHFFFAOYSA-N
MW2024.58 g/mol
LogP24.69
Rot. Bonds16

About 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

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 (PubChem CID 159227653) has the molecular formula C96H65F24N9O14 and a molecular weight of 2024.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID159227653
Molecular FormulaC96H65F24N9O14
Molecular Weight2024.58 g/mol
Exact Mass2023.43
IUPAC Nameethyl 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
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C15H11F4NO2.C14H9F4NO2.C14H11F3N2O2.C14H10F3NO2.C13H7F4NO2.C13H9F3N2O2.C13H8F3NO2/c1-2-22-14(21)11-7-8-12(15(17,18)19)20-13(11)9-3-5-10(16)6-4-9;1-21-13(20)10-6-7-11(14(16,17)18)19-12(10)8-2-4-9(15)5-3-8;1-2-21-13(20)9-6-7-11(14(15,16)17)19-12(9)10-5-3-4-8-18-10;1-20-13(19)10-7-8-11(14(15,16)17)18-12(10)9-5-3-2-4-6-9;14-8-3-1-7(2-4-8)11-9(12(19)20)5-6-10(18-11)13(15,16)17;1-20-12(19)8-5-6-10(13(14,15)16)18-11(8)9-4-2-3-7-17-9;14-13(15,16)10-7-6-9(12(18)19)11(17-10)8-4-2-1-3-5-8/h3-8H,2H2,1H3;2-7H,1H3;3-8H,2H2,1H3;2-8H,1H3;1-6H,(H,19,20);2-7H,1H3;1-7H,(H,18,19)
InChIKeyKSMMZXVVAIIRQW-UHFFFAOYSA-N
XLogP24.69
TPSA322.11 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.58
LogP ≤ 524.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, (E)-2-butenedioate (2:1)
CID 11980104
Isopropyl 2-(3-isopropoxycarbonyl-2-pyridyl)pyridine-3-carboxylate; ruthenium
CID 49771542
Di-tetrabutylammonium cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR)
CID 71310680
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
3-(Dimethylamino)-2-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-1-one;ethyl 2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate
CID 87718401
Ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87801988
Methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87802068
Ethyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87818305
29,31-Diacetyl-1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28,30,32(34)-pentadecaene-5,10,18,23-tetracarboxylic acid;bis(2,2,2-trifluoroacetate)
CID 91335282
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
1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4S)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R)-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S)-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone
CID 157643148

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccccn1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is KSMMZXVVAIIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO2.C14H9F4NO2.C14H11F3N2O2.C14H10F3NO2.C13H7F4NO2.C13H9F3N2O2.C13H8F3NO2/c1-2-22-14(21)11-7-8-12(15(17,18)19)20-13(11)9-3-5-10(16)6-4-9;1-21-13(20)10-6-7-11(14(16,17)18)19-12(10)8-2-4-9(15)5-3-8;1-2-21-13(20)9-6-7-11(14(15,16)17)19-12(9)10-5-3-4-8-18-10;1-20-13(19)10-7-8-11(14(15,16)17)18-12(10)9-5-3-2-4-6-9;14-8-3-1-7(2-4-8)11-9(12(19)20)5-6-10(18-11)13(15,16)17;1-20-12(19)8-5-6-10(13(14,15)16)18-11(8)9-4-2-3-7-17-9;14-13(15,16)10-7-6-9(12(18)19)11(17-10)8-4-2-1-3-5-8/h3-8H,2H2,1H3;2-7H,1H3;3-8H,2H2,1H3;2-8H,1H3;1-6H,(H,19,20);2-7H,1H3;1-7H,(H,18,19).
What are the key properties of 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?
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 has a molecular weight of 2024.58 g/mol, XLogP of 24.69, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159227653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).