6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid

C13H8ClFN2O3 — CID 81267592

IUPAC6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(Cl)c2F)nc1
InChIInChI=1S/C13H8ClFN2O3/c14-9-3-1-2-8(11(9)15)12(18)17-10-5-4-7(6-16-10)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyBMNQIHLDEVLQHW-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid

6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 81267592) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID81267592
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(Cl)c2F)nc1
InChIInChI=1S/C13H8ClFN2O3/c14-9-3-1-2-8(11(9)15)12(18)17-10-5-4-7(6-16-10)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyBMNQIHLDEVLQHW-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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Related Compounds

6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 137373603
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 114050036
6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 113452818
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid (CID 81267592) is 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cccc(Cl)c2F)nc1.
What is the InChIKey of 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is BMNQIHLDEVLQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-3-1-2-8(11(9)15)12(18)17-10-5-4-7(6-16-10)13(19)20/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-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-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81267592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).