3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid

C13H7ClFNO3 — CID 19974767

IUPAC3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H7ClFNO3/c14-7-1-2-11(15)9(5-7)12(17)10-6-16-4-3-8(10)13(18)19/h1-6H,(H,18,19)
InChIKeyCZQIVSTYIZEKGB-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.80
Rot. Bonds3

About 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid

3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid (PubChem CID 19974767) has the molecular formula C13H7ClFNO3 and a molecular weight of 279.65 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid
PubChem CID19974767
Molecular FormulaC13H7ClFNO3
Molecular Weight279.65 g/mol
Exact Mass279.01
IUPAC Name3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H7ClFNO3/c14-7-1-2-11(15)9(5-7)12(17)10-6-16-4-3-8(10)13(18)19/h1-6H,(H,18,19)
InChIKeyCZQIVSTYIZEKGB-UHFFFAOYSA-N
XLogP2.80
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid (CID 19974767) is 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid?
The InChIKey is CZQIVSTYIZEKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO3/c14-7-1-2-11(15)9(5-7)12(17)10-6-16-4-3-8(10)13(18)19/h1-6H,(H,18,19).
What are the key properties of 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid?
3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid has a molecular weight of 279.65 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorobenzoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 19974767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).