6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde

C7H8ClNO2 — CID 12752643

IUPAC6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde
SMILESCN1C(=O)CCC(C=O)=C1Cl
InChIInChI=1S/C7H8ClNO2/c1-9-6(11)3-2-5(4-10)7(9)8/h4H,2-3H2,1H3
InChIKeyXJGFUZRECZCSSB-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.89
Rot. Bonds1

About 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde

6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde (PubChem CID 12752643) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde
PubChem CID12752643
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde
SMILESCN1C(=O)CCC(C=O)=C1Cl
InChIInChI=1S/C7H8ClNO2/c1-9-6(11)3-2-5(4-10)7(9)8/h4H,2-3H2,1H3
InChIKeyXJGFUZRECZCSSB-UHFFFAOYSA-N
XLogP0.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde 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 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde?
The IUPAC name of 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde (CID 12752643) is 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde.
What is the SMILES notation for 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde?
The canonical SMILES for 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde is CN1C(=O)CCC(C=O)=C1Cl.
What is the InChIKey of 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde?
The InChIKey is XJGFUZRECZCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2/c1-9-6(11)3-2-5(4-10)7(9)8/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde?
6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde has a molecular weight of 173.60 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-oxo-3,4-dihydropyridine-5-carbaldehyde is sourced from PubChem (CID 12752643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).