3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid

C18H11F2NO2 — CID 46313709

IUPAC3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(F)c2)ccc1-c1cccc(F)c1
InChIInChI=1S/C18H11F2NO2/c19-13-5-1-3-11(9-13)15-7-8-16(21-17(15)18(22)23)12-4-2-6-14(20)10-12/h1-10H,(H,22,23)
InChIKeyZQWHHZRANVPFDB-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.39
Rot. Bonds3

About 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid

3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 46313709) has the molecular formula C18H11F2NO2 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID46313709
Molecular FormulaC18H11F2NO2
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(F)c2)ccc1-c1cccc(F)c1
InChIInChI=1S/C18H11F2NO2/c19-13-5-1-3-11(9-13)15-7-8-16(21-17(15)18(22)23)12-4-2-6-14(20)10-12/h1-10H,(H,22,23)
InChIKeyZQWHHZRANVPFDB-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

6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
CID 97181116
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 84726572
2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
CID 131869560
4-(3-fluorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 154345358
2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid
CID 43445116
2-fluoro-6-(3-fluorophenyl)-3-(4-methylphenyl)pyridine
CID 59928893
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
2-[2-fluoro-3-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312542
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53229349
5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 115059786

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid (CID 46313709) is 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2cccc(F)c2)ccc1-c1cccc(F)c1.
What is the InChIKey of 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is ZQWHHZRANVPFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO2/c19-13-5-1-3-11(9-13)15-7-8-16(21-17(15)18(22)23)12-4-2-6-14(20)10-12/h1-10H,(H,22,23).
What are the key properties of 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid?
3,6-bis(3-fluorophenyl)pyridine-2-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 3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 46313709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).