6-chloro-3-pyridin-4-ylchromen-2-one

C14H8ClNO2 — CID 13287

IUPAC6-chloro-3-pyridin-4-ylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1ccncc1
InChIInChI=1S/C14H8ClNO2/c15-11-1-2-13-10(7-11)8-12(14(17)18-13)9-3-5-16-6-4-9/h1-8H
InChIKeyJRWFNWPQMYOVSQ-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.51
Rot. Bonds1

About 6-chloro-3-pyridin-4-ylchromen-2-one

6-chloro-3-pyridin-4-ylchromen-2-one (PubChem CID 13287) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-3-pyridin-4-ylchromen-2-one.

Molecular Properties

Compound Name6-chloro-3-pyridin-4-ylchromen-2-one
PubChem CID13287
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name6-chloro-3-pyridin-4-ylchromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1ccncc1
InChIInChI=1S/C14H8ClNO2/c15-11-1-2-13-10(7-11)8-12(14(17)18-13)9-3-5-16-6-4-9/h1-8H
InChIKeyJRWFNWPQMYOVSQ-UHFFFAOYSA-N
XLogP3.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyridin-4-ylchromen-2-one?
The IUPAC name of 6-chloro-3-pyridin-4-ylchromen-2-one (CID 13287) is 6-chloro-3-pyridin-4-ylchromen-2-one.
What is the SMILES notation for 6-chloro-3-pyridin-4-ylchromen-2-one?
The canonical SMILES for 6-chloro-3-pyridin-4-ylchromen-2-one is O=c1oc2ccc(Cl)cc2cc1-c1ccncc1.
What is the InChIKey of 6-chloro-3-pyridin-4-ylchromen-2-one?
The InChIKey is JRWFNWPQMYOVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-11-1-2-13-10(7-11)8-12(14(17)18-13)9-3-5-16-6-4-9/h1-8H.
What are the key properties of 6-chloro-3-pyridin-4-ylchromen-2-one?
6-chloro-3-pyridin-4-ylchromen-2-one has a molecular weight of 257.68 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyridin-4-ylchromen-2-one is sourced from PubChem (CID 13287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).