5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C20H11F6NO2 — CID 134629102

IUPAC5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H11F6NO2/c21-19(22,23)15-7-3-1-5-12(15)14-9-11(18(28)29)10-27-17(14)13-6-2-4-8-16(13)20(24,25)26/h1-10H,(H,28,29)
InChIKeyXCGBHRCLIGFZEY-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.15
Rot. Bonds3

About 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 134629102) has the molecular formula C20H11F6NO2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID134629102
Molecular FormulaC20H11F6NO2
Molecular Weight411.30 g/mol
Exact Mass411.07
IUPAC Name5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H11F6NO2/c21-19(22,23)15-7-3-1-5-12(15)14-9-11(18(28)29)10-27-17(14)13-6-2-4-8-16(13)20(24,25)26/h1-10H,(H,28,29)
InChIKeyXCGBHRCLIGFZEY-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

5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 133089659
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 134629102) is 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccccc2C(F)(F)F)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is XCGBHRCLIGFZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6NO2/c21-19(22,23)15-7-3-1-5-12(15)14-9-11(18(28)29)10-27-17(14)13-6-2-4-8-16(13)20(24,25)26/h1-10H,(H,28,29).
What are the key properties of 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
5,6-bis[2-(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 5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134629102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).