2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one

C9H6ClN3O3 — CID 123402839

IUPAC2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(N=O)c(Cl)nc12
InChIInChI=1S/C9H6ClN3O3/c1-16-5-3-2-4-13-8(5)11-7(10)6(12-15)9(13)14/h2-4H,1H3
InChIKeyNOVFLAYFXRKMDX-UHFFFAOYSA-N
MW239.62 g/mol
LogP1.75
Rot. Bonds2

About 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one

2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one (PubChem CID 123402839) has the molecular formula C9H6ClN3O3 and a molecular weight of 239.62 g/mol. Its IUPAC name is 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one
PubChem CID123402839
Molecular FormulaC9H6ClN3O3
Molecular Weight239.62 g/mol
Exact Mass239.01
IUPAC Name2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c(N=O)c(Cl)nc12
InChIInChI=1S/C9H6ClN3O3/c1-16-5-3-2-4-13-8(5)11-7(10)6(12-15)9(13)14/h2-4H,1H3
InChIKeyNOVFLAYFXRKMDX-UHFFFAOYSA-N
XLogP1.75
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-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-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one (CID 123402839) is 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one is COc1cccn2c(=O)c(N=O)c(Cl)nc12.
What is the InChIKey of 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NOVFLAYFXRKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3/c1-16-5-3-2-4-13-8(5)11-7(10)6(12-15)9(13)14/h2-4H,1H3.
What are the key properties of 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one?
2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 239.62 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-methoxy-3-nitrosopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123402839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).