6-chloro-2-oxochromene-3-carboxamide

C10H6ClNO3 — CID 780553

IUPAC6-chloro-2-oxochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C10H6ClNO3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H2,12,13)
InChIKeyJJALPYSRHDYYBA-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.55
Rot. Bonds1

About 6-chloro-2-oxochromene-3-carboxamide

6-chloro-2-oxochromene-3-carboxamide (PubChem CID 780553) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-oxochromene-3-carboxamide
PubChem CID780553
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name6-chloro-2-oxochromene-3-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C10H6ClNO3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H2,12,13)
InChIKeyJJALPYSRHDYYBA-UHFFFAOYSA-N
XLogP1.55
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 6-chloro-2-oxochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-2-oxochromene-3-carboxamide (CID 780553) is 6-chloro-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-oxochromene-3-carboxamide is NC(=O)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-2-oxochromene-3-carboxamide?
The InChIKey is JJALPYSRHDYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H2,12,13).
What are the key properties of 6-chloro-2-oxochromene-3-carboxamide?
6-chloro-2-oxochromene-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 780553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).