6-bromo-3-pyridin-2-ylchromen-2-one

C14H8BrNO2 — CID 13732

IUPAC6-bromo-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2ccc(Br)cc2cc1-c1ccccn1
InChIInChI=1S/C14H8BrNO2/c15-10-4-5-13-9(7-10)8-11(14(17)18-13)12-3-1-2-6-16-12/h1-8H
InChIKeyIDHKCWBINRCURJ-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.62
Rot. Bonds1

About 6-bromo-3-pyridin-2-ylchromen-2-one

6-bromo-3-pyridin-2-ylchromen-2-one (PubChem CID 13732) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 6-bromo-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name6-bromo-3-pyridin-2-ylchromen-2-one
PubChem CID13732
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name6-bromo-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2ccc(Br)cc2cc1-c1ccccn1
InChIInChI=1S/C14H8BrNO2/c15-10-4-5-13-9(7-10)8-11(14(17)18-13)12-3-1-2-6-16-12/h1-8H
InChIKeyIDHKCWBINRCURJ-UHFFFAOYSA-N
XLogP3.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.62
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-bromo-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 6-bromo-3-pyridin-2-ylchromen-2-one (CID 13732) is 6-bromo-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 6-bromo-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 6-bromo-3-pyridin-2-ylchromen-2-one is O=c1oc2ccc(Br)cc2cc1-c1ccccn1.
What is the InChIKey of 6-bromo-3-pyridin-2-ylchromen-2-one?
The InChIKey is IDHKCWBINRCURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-10-4-5-13-9(7-10)8-11(14(17)18-13)12-3-1-2-6-16-12/h1-8H.
What are the key properties of 6-bromo-3-pyridin-2-ylchromen-2-one?
6-bromo-3-pyridin-2-ylchromen-2-one has a molecular weight of 302.13 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 13732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).