3-(4-fluorobenzoyl)pyridine-2-carboxylic acid

C13H8FNO3 — CID 10014744

IUPAC3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
SMILESO=C(c1ccc(F)cc1)c1cccnc1C(=O)O
InChIInChI=1S/C13H8FNO3/c14-9-5-3-8(4-6-9)12(16)10-2-1-7-15-11(10)13(17)18/h1-7H,(H,17,18)
InChIKeyDXWWGGURSIRFEP-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.15
Rot. Bonds3

About 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid

3-(4-fluorobenzoyl)pyridine-2-carboxylic acid (PubChem CID 10014744) has the molecular formula C13H8FNO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
PubChem CID10014744
Molecular FormulaC13H8FNO3
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
SMILESO=C(c1ccc(F)cc1)c1cccnc1C(=O)O
InChIInChI=1S/C13H8FNO3/c14-9-5-3-8(4-6-9)12(16)10-2-1-7-15-11(10)13(17)18/h1-7H,(H,17,18)
InChIKeyDXWWGGURSIRFEP-UHFFFAOYSA-N
XLogP2.15
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-(5-chloro-2-fluorobenzoyl)pyridine-2-carboxylic acid
CID 23355556
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
CID 19700744
3-oxalopyridine-2-carboxylic acid
CID 15639413
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
(4-fluorophenyl)-phenylmethanone
CID 161464622
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
sodium;copper;hydride;phosphorous acid;pyridine-2,3-dicarboxylic acid
CID 175504102

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid (CID 10014744) is 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid is O=C(c1ccc(F)cc1)c1cccnc1C(=O)O.
What is the InChIKey of 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid?
The InChIKey is DXWWGGURSIRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3/c14-9-5-3-8(4-6-9)12(16)10-2-1-7-15-11(10)13(17)18/h1-7H,(H,17,18).
What are the key properties of 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid?
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid has a molecular weight of 245.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 10014744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).