2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid

C18H11F2NO2 — CID 46313699

IUPAC2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)nc(-c2ccccc2F)c1
InChIInChI=1S/C18H11F2NO2/c19-14-7-3-1-5-12(14)16-9-11(18(22)23)10-17(21-16)13-6-2-4-8-15(13)20/h1-10H,(H,22,23)
InChIKeyGREBZIFOTMGWCZ-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.39
Rot. Bonds3

About 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid

2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid (PubChem CID 46313699) has the molecular formula C18H11F2NO2 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
PubChem CID46313699
Molecular FormulaC18H11F2NO2
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)nc(-c2ccccc2F)c1
InChIInChI=1S/C18H11F2NO2/c19-14-7-3-1-5-12(14)16-9-11(18(22)23)10-17(21-16)13-6-2-4-8-15(13)20/h1-10H,(H,22,23)
InChIKeyGREBZIFOTMGWCZ-UHFFFAOYSA-N
XLogP4.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(2-fluorophenyl)benzoic acid
CID 170919050
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737
1-[2-(2-fluorophenyl)-6-propan-2-yl-4-pyridinyl]ethanone
CID 130178591
ethane;4-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid
CID 143218295
2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid
CID 83235231
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-amino-5-(2-fluorophenyl)benzoic acid
CID 53225005
6-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 29091420
2-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
CID 118847536
2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
CID 122688052
3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83646245
2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987836

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid (CID 46313699) is 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2F)nc(-c2ccccc2F)c1.
What is the InChIKey of 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid?
The InChIKey is GREBZIFOTMGWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO2/c19-14-7-3-1-5-12(14)16-9-11(18(22)23)10-17(21-16)13-6-2-4-8-15(13)20/h1-10H,(H,22,23).
What are the key properties of 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid?
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid has a molecular weight of 311.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 46313699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).