2-pyridin-3-yl-3,1-benzoxazin-4-one

C13H8N2O2 — CID 722912

IUPAC2-pyridin-3-yl-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C13H8N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8H
InChIKeyGZRBBQAPCOAZMQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.25
Rot. Bonds1

About 2-pyridin-3-yl-3,1-benzoxazin-4-one

2-pyridin-3-yl-3,1-benzoxazin-4-one (PubChem CID 722912) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-pyridin-3-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3,1-benzoxazin-4-one
PubChem CID722912
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name2-pyridin-3-yl-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C13H8N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8H
InChIKeyGZRBBQAPCOAZMQ-UHFFFAOYSA-N
XLogP2.25
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3,1-benzoxazin-4-one?
The IUPAC name of 2-pyridin-3-yl-3,1-benzoxazin-4-one (CID 722912) is 2-pyridin-3-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-pyridin-3-yl-3,1-benzoxazin-4-one is O=c1oc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-3-yl-3,1-benzoxazin-4-one?
The InChIKey is GZRBBQAPCOAZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8H.
What are the key properties of 2-pyridin-3-yl-3,1-benzoxazin-4-one?
2-pyridin-3-yl-3,1-benzoxazin-4-one has a molecular weight of 224.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 722912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).