8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid

C13H6ClNO5 — CID 12736925

IUPAC8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)c3cc(Cl)ccc3oc2c1=O
InChIInChI=1S/C13H6ClNO5/c14-5-1-2-8-6(3-5)10(16)9-12(20-8)11(17)7(4-15-9)13(18)19/h1-4H,(H,15,17)(H,18,19)
InChIKeyOCSYJKSATIXRPG-UHFFFAOYSA-N
MW291.65 g/mol
LogP1.99
Rot. Bonds1

About 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid

8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 12736925) has the molecular formula C13H6ClNO5 and a molecular weight of 291.65 g/mol. Its IUPAC name is 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid
PubChem CID12736925
Molecular FormulaC13H6ClNO5
Molecular Weight291.65 g/mol
Exact Mass290.99
IUPAC Name8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(=O)c3cc(Cl)ccc3oc2c1=O
InChIInChI=1S/C13H6ClNO5/c14-5-1-2-8-6(3-5)10(16)9-12(20-8)11(17)7(4-15-9)13(18)19/h1-4H,(H,15,17)(H,18,19)
InChIKeyOCSYJKSATIXRPG-UHFFFAOYSA-N
XLogP1.99
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.65
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid (CID 12736925) is 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(=O)c3cc(Cl)ccc3oc2c1=O.
What is the InChIKey of 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is OCSYJKSATIXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClNO5/c14-5-1-2-8-6(3-5)10(16)9-12(20-8)11(17)7(4-15-9)13(18)19/h1-4H,(H,15,17)(H,18,19).
What are the key properties of 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid?
8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 291.65 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 12736925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).