6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid

C13H8ClFN2O3 — CID 63642016

IUPAC6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H8ClFN2O3/c14-7-4-5-8(9(15)6-7)12(18)17-11-3-1-2-10(16-11)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyOYBRCJIESMDRFZ-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid

6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63642016) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63642016
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H8ClFN2O3/c14-7-4-5-8(9(15)6-7)12(18)17-11-3-1-2-10(16-11)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyOYBRCJIESMDRFZ-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid (CID 63642016) is 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is OYBRCJIESMDRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-7-4-5-8(9(15)6-7)12(18)17-11-3-1-2-10(16-11)13(19)20/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 294.67 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorobenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).