1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone

C9H9ClN2O2 — CID 122637576

IUPAC1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone
SMILESCC(=O)N1CCOc2c1ccnc2Cl
InChIInChI=1S/C9H9ClN2O2/c1-6(13)12-4-5-14-8-7(12)2-3-11-9(8)10/h2-3H,4-5H2,1H3
InChIKeyJYEUTVYNJVJLBD-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.48
Rot. Bonds

About 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone

1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone (PubChem CID 122637576) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone
PubChem CID122637576
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone
SMILESCC(=O)N1CCOc2c1ccnc2Cl
InChIInChI=1S/C9H9ClN2O2/c1-6(13)12-4-5-14-8-7(12)2-3-11-9(8)10/h2-3H,4-5H2,1H3
InChIKeyJYEUTVYNJVJLBD-UHFFFAOYSA-N
XLogP1.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-((2-chloropyridin-3-yl)oxy)ethoxy)-1-(4-fluorophenyl)pyridin-2(1H)-one
CID 122456229
1H-Pyrido(3,4-b)(1,4)oxazin-2(3H)-one
CID 19031659
7-chloro-1H,2H,3H-pyrido[3,4-b][1,4]oxazine
CID 84071240
2-[(4-chloro-3-pyridinyl)oxy]-N-ethyl-N-methylethanamine
CID 44302857
4-(2-((4-chloropyridin-3-yl)oxy)ethoxy)-1-(4-fluorophenyl)pyridin-2(1H)-one
CID 122456231
5-Chloro-1H-pyrido(3,4-b)(1,4)oxazin-2(3H)-one
CID 71742952
7-Chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
CID 126569320
7-Fluoro-1-methyl-2,3-dihydropyrido[3,4-b][1,4]oxazine
CID 132173284
2-Chloro-3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]pyridine
CID 141382237
2-Chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine
CID 154644358
2-Chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine
CID 177233568
4-[2-Chloro-3-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]morpholine
CID 177233603

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone (CID 122637576) is 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone is CC(=O)N1CCOc2c1ccnc2Cl.
What is the InChIKey of 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone?
The InChIKey is JYEUTVYNJVJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-6(13)12-4-5-14-8-7(12)2-3-11-9(8)10/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone?
1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone has a molecular weight of 212.64 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)ethanone is sourced from PubChem (CID 122637576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).