[2-(oxomethylidene)-3-pyridinylidene]methanone

C7H3NO2 — CID 87552001

IUPAC[2-(oxomethylidene)-3-pyridinylidene]methanone
SMILESO=C=c1cccnc1=C=O
InChIInChI=1S/C7H3NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3H
InChIKeyXSQOWWBVESWQQG-UHFFFAOYSA-N
MW133.11 g/mol
LogP-1.91
Rot. Bonds

About [2-(oxomethylidene)-3-pyridinylidene]methanone

[2-(oxomethylidene)-3-pyridinylidene]methanone (PubChem CID 87552001) has the molecular formula C7H3NO2 and a molecular weight of 133.11 g/mol. Its IUPAC name is [2-(oxomethylidene)-3-pyridinylidene]methanone.

Molecular Properties

Compound Name[2-(oxomethylidene)-3-pyridinylidene]methanone
PubChem CID87552001
Molecular FormulaC7H3NO2
Molecular Weight133.11 g/mol
Exact Mass133.02
IUPAC Name[2-(oxomethylidene)-3-pyridinylidene]methanone
SMILESO=C=c1cccnc1=C=O
InChIInChI=1S/C7H3NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3H
InChIKeyXSQOWWBVESWQQG-UHFFFAOYSA-N
XLogP-1.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(oxomethylidene)-3-pyridinylidene]methanone 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-(oxomethylidene)-3-pyridinylidene]methanone?
The IUPAC name of [2-(oxomethylidene)-3-pyridinylidene]methanone (CID 87552001) is [2-(oxomethylidene)-3-pyridinylidene]methanone.
What is the SMILES notation for [2-(oxomethylidene)-3-pyridinylidene]methanone?
The canonical SMILES for [2-(oxomethylidene)-3-pyridinylidene]methanone is O=C=c1cccnc1=C=O.
What is the InChIKey of [2-(oxomethylidene)-3-pyridinylidene]methanone?
The InChIKey is XSQOWWBVESWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3H.
What are the key properties of [2-(oxomethylidene)-3-pyridinylidene]methanone?
[2-(oxomethylidene)-3-pyridinylidene]methanone has a molecular weight of 133.11 g/mol, XLogP of -1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxomethylidene)-3-pyridinylidene]methanone is sourced from PubChem (CID 87552001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).