6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid

C12H8ClN3O3 — CID 62240088

IUPAC6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(Cl)n2)nc1
InChIInChI=1S/C12H8ClN3O3/c13-9-3-1-2-8(15-9)11(17)16-10-5-4-7(6-14-10)12(18)19/h1-6H,(H,18,19)(H,14,16,17)
InChIKeyVXRFCHBXYPBMRV-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.08
Rot. Bonds3

About 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid

6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 62240088) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID62240088
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccc(Cl)n2)nc1
InChIInChI=1S/C12H8ClN3O3/c13-9-3-1-2-8(15-9)11(17)16-10-5-4-7(6-14-10)12(18)19/h1-6H,(H,18,19)(H,14,16,17)
InChIKeyVXRFCHBXYPBMRV-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

6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 137373603
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61317349
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
6-(imidazo[1,2-a]pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 61319611

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 62240088) is 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cccc(Cl)n2)nc1.
What is the InChIKey of 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is VXRFCHBXYPBMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c13-9-3-1-2-8(15-9)11(17)16-10-5-4-7(6-14-10)12(18)19/h1-6H,(H,18,19)(H,14,16,17).
What are the key properties of 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(6-chloropyridine-2-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 6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62240088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).