7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one

C7H5ClN2O2 — CID 55265376

IUPAC7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESO=C1COc2cnc(Cl)cc2N1
InChIInChI=1S/C7H5ClN2O2/c8-6-1-4-5(2-9-6)12-3-7(11)10-4/h1-2H,3H2,(H,10,11)
InChIKeyAXIRKBTWESOEDK-UHFFFAOYSA-N
MW184.58 g/mol
LogP1.07
Rot. Bonds

About 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one

7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one (PubChem CID 55265376) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
PubChem CID55265376
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESO=C1COc2cnc(Cl)cc2N1
InChIInChI=1S/C7H5ClN2O2/c8-6-1-4-5(2-9-6)12-3-7(11)10-4/h1-2H,3H2,(H,10,11)
InChIKeyAXIRKBTWESOEDK-UHFFFAOYSA-N
XLogP1.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The IUPAC name of 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one (CID 55265376) is 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The canonical SMILES for 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one is O=C1COc2cnc(Cl)cc2N1.
What is the InChIKey of 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one?
The InChIKey is AXIRKBTWESOEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c8-6-1-4-5(2-9-6)12-3-7(11)10-4/h1-2H,3H2,(H,10,11).
What are the key properties of 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one?
7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one has a molecular weight of 184.58 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-pyrido[3,4-b][1,4]oxazin-2-one is sourced from PubChem (CID 55265376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).