4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C12H11ClN2O3 — CID 79208865

IUPAC4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2O3/c13-10-3-1-2-9(15-10)11(16)14-8-5-4-7(6-8)12(17)18/h1-5,7-8H,6H2,(H,14,16)(H,17,18)
InChIKeyLSPCOWJLEBUAIX-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.49
Rot. Bonds3

About 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79208865) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79208865
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(NC1C=CC(C(=O)O)C1)c1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2O3/c13-10-3-1-2-9(15-10)11(16)14-8-5-4-7(6-8)12(17)18/h1-5,7-8H,6H2,(H,14,16)(H,17,18)
InChIKeyLSPCOWJLEBUAIX-UHFFFAOYSA-N
XLogP1.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79208865) is 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is O=C(NC1C=CC(C(=O)O)C1)c1cccc(Cl)n1.
What is the InChIKey of 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is LSPCOWJLEBUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-10-3-1-2-9(15-10)11(16)14-8-5-4-7(6-8)12(17)18/h1-5,7-8H,6H2,(H,14,16)(H,17,18).
What are the key properties of 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79208865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).