3-(oxomethylidene)-2H-pyridine-2-carbaldehyde

C7H5NO2 — CID 151754874

IUPAC3-(oxomethylidene)-2H-pyridine-2-carbaldehyde
SMILESO=C=C1C=CC=NC1C=O
InChIInChI=1S/C7H5NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,5,7H
InChIKeyRPIDCIKGCYWICT-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.05
Rot. Bonds1

About 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde

3-(oxomethylidene)-2H-pyridine-2-carbaldehyde (PubChem CID 151754874) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(oxomethylidene)-2H-pyridine-2-carbaldehyde
PubChem CID151754874
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name3-(oxomethylidene)-2H-pyridine-2-carbaldehyde
SMILESO=C=C1C=CC=NC1C=O
InChIInChI=1S/C7H5NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,5,7H
InChIKeyRPIDCIKGCYWICT-UHFFFAOYSA-N
XLogP-0.05
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde?
The IUPAC name of 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde (CID 151754874) is 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde is O=C=C1C=CC=NC1C=O.
What is the InChIKey of 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde?
The InChIKey is RPIDCIKGCYWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,5,7H.
What are the key properties of 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde?
3-(oxomethylidene)-2H-pyridine-2-carbaldehyde has a molecular weight of 135.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxomethylidene)-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 151754874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).