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

C13H8FNO3 — CID 10752867

IUPAC4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H8FNO3/c14-9-3-1-8(2-4-9)12(16)10-5-6-15-7-11(10)13(17)18/h1-7H,(H,17,18)
InChIKeyZHIAUFGXWMQZCP-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.15
Rot. Bonds3

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

4-(4-fluorobenzoyl)pyridine-3-carboxylic acid (PubChem CID 10752867) has the molecular formula C13H8FNO3 and a molecular weight of 245.21 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
PubChem CID10752867
Molecular FormulaC13H8FNO3
Molecular Weight245.21 g/mol
Exact Mass245.05
IUPAC Name4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H8FNO3/c14-9-3-1-8(2-4-9)12(16)10-5-6-15-7-11(10)13(17)18/h1-7H,(H,17,18)
InChIKeyZHIAUFGXWMQZCP-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

3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
CID 2777549
4-Oxo-4-(3-pyridyl)butyric acid
CID 437
Cinchomeronic acid
CID 10273
2-Fluoronicotinic acid
CID 96089
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
5-(2-Phenyleth-1-Ynyl)Nicotinic Acid
CID 2779236
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Isoquinoline-5-carboxylic acid
CID 260936
6-Phenylnicotinic acid
CID 120118
5-Phenylpyridine-3-carboxylic acid
CID 346160
4-Pyridin-3-yl-benzoic acid
CID 1515244

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid (CID 10752867) is 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid is O=C(O)c1cnccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid?
The InChIKey is ZHIAUFGXWMQZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3/c14-9-3-1-8(2-4-9)12(16)10-5-6-15-7-11(10)13(17)18/h1-7H,(H,17,18).
What are the key properties of 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid?
4-(4-fluorobenzoyl)pyridine-3-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 4-(4-fluorobenzoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 10752867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).