3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid

C12H8ClN3O3 — CID 104740156

IUPAC3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)c1cc(Cl)ccn1
InChIInChI=1S/C12H8ClN3O3/c13-7-3-5-14-9(6-7)11(17)16-8-2-1-4-15-10(8)12(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyOFEUNQVIDOBFMY-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.08
Rot. Bonds3

About 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid

3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104740156) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104740156
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)O)c1cc(Cl)ccn1
InChIInChI=1S/C12H8ClN3O3/c13-7-3-5-14-9(6-7)11(17)16-8-2-1-4-15-10(8)12(18)19/h1-6H,(H,16,17)(H,18,19)
InChIKeyOFEUNQVIDOBFMY-UHFFFAOYSA-N
XLogP2.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
3-[(3-chloro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740205
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
3-[(4-chloropyridine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264628
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 47166032
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid (CID 104740156) is 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid is O=C(Nc1cccnc1C(=O)O)c1cc(Cl)ccn1.
What is the InChIKey of 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is OFEUNQVIDOBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-7-3-5-14-9(6-7)11(17)16-8-2-1-4-15-10(8)12(18)19/h1-6H,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 277.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).