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

C12H8ClN3O3 — CID 114036719

IUPAC2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1cccnc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-9-7(3-1-5-14-9)11(17)16-10-8(12(18)19)4-2-6-15-10/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyILDWEGXHJDZIOB-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.08
Rot. Bonds3

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

2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 114036719) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID114036719
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1cccnc1Cl
InChIInChI=1S/C12H8ClN3O3/c13-9-7(3-1-5-14-9)11(17)16-10-8(12(18)19)4-2-6-15-10/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyILDWEGXHJDZIOB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653226
3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 114036719) is 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1cccnc1Cl.
What is the InChIKey of 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is ILDWEGXHJDZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-9-7(3-1-5-14-9)11(17)16-10-8(12(18)19)4-2-6-15-10/h1-6H,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-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 2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114036719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).