2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one

C13H10N2O3 — CID 19008621

IUPAC2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1Oc1ccccn1
InChIInChI=1S/C13H10N2O3/c16-12-13(18-11-7-3-4-8-14-11)17-10-6-2-1-5-9(10)15-12/h1-8,13H,(H,15,16)
InChIKeyDPVQGZTZPRAYCE-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.82
Rot. Bonds2

About 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one

2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one (PubChem CID 19008621) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one
PubChem CID19008621
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1Oc1ccccn1
InChIInChI=1S/C13H10N2O3/c16-12-13(18-11-7-3-4-8-14-11)17-10-6-2-1-5-9(10)15-12/h1-8,13H,(H,15,16)
InChIKeyDPVQGZTZPRAYCE-UHFFFAOYSA-N
XLogP1.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one 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 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one (CID 19008621) is 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one is O=C1Nc2ccccc2OC1Oc1ccccn1.
What is the InChIKey of 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one?
The InChIKey is DPVQGZTZPRAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12-13(18-11-7-3-4-8-14-11)17-10-6-2-1-5-9(10)15-12/h1-8,13H,(H,15,16).
What are the key properties of 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one?
2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one has a molecular weight of 242.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 19008621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).