2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one

C14H8BrNO2 — CID 3073314

IUPAC2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2cccc(Br)c2)oc2cccnc12
InChIInChI=1S/C14H8BrNO2/c15-10-4-1-3-9(7-10)13-8-11(17)14-12(18-13)5-2-6-16-14/h1-8H
InChIKeyOROKKDMWEZIQGA-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.62
Rot. Bonds1

About 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one

2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one (PubChem CID 3073314) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one
PubChem CID3073314
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2cccc(Br)c2)oc2cccnc12
InChIInChI=1S/C14H8BrNO2/c15-10-4-1-3-9(7-10)13-8-11(17)14-12(18-13)5-2-6-16-14/h1-8H
InChIKeyOROKKDMWEZIQGA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one?
The IUPAC name of 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one (CID 3073314) is 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one?
The canonical SMILES for 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one is O=c1cc(-c2cccc(Br)c2)oc2cccnc12.
What is the InChIKey of 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one?
The InChIKey is OROKKDMWEZIQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-10-4-1-3-9(7-10)13-8-11(17)14-12(18-13)5-2-6-16-14/h1-8H.
What are the key properties of 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one?
2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-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 2-(3-bromophenyl)pyrano[3,2-b]pyridin-4-one is sourced from PubChem (CID 3073314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).