2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C20H11F6NO2 — CID 134618070

IUPAC2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H11F6NO2/c21-19(22,23)14-5-1-11(2-6-14)13-9-16(18(28)29)17(27-10-13)12-3-7-15(8-4-12)20(24,25)26/h1-10H,(H,28,29)
InChIKeySKMKBXIVIARJLI-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.15
Rot. Bonds3

About 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 134618070) has the molecular formula C20H11F6NO2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID134618070
Molecular FormulaC20H11F6NO2
Molecular Weight411.30 g/mol
Exact Mass411.07
IUPAC Name2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)cnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H11F6NO2/c21-19(22,23)14-5-1-11(2-6-14)13-9-16(18(28)29)17(27-10-13)12-3-7-15(8-4-12)20(24,25)26/h1-10H,(H,28,29)
InChIKeySKMKBXIVIARJLI-UHFFFAOYSA-N
XLogP6.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53223969
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909587
2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 46315833
2-[4-(trifluoromethyl)phenyl]pyridine-3,5-diol
CID 175417791
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
CID 102755397

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 134618070) is 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)cnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is SKMKBXIVIARJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6NO2/c21-19(22,23)14-5-1-11(2-6-14)13-9-16(18(28)29)17(27-10-13)12-3-7-15(8-4-12)20(24,25)26/h1-10H,(H,28,29).
What are the key properties of 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 411.30 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134618070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).