(2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde

C9H12N2O — CID 142995202

IUPAC(2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde
SMILESCN/C=C1/C=CC(C)=CN1C=O
InChIInChI=1S/C9H12N2O/c1-8-3-4-9(5-10-2)11(6-8)7-12/h3-7,10H,1-2H3/b9-5-
InChIKeyDWNORIGREFNVLE-UITAMQMPSA-N
MW164.21 g/mol
LogP0.98
Rot. Bonds2

About (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde

(2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde (PubChem CID 142995202) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde.

Molecular Properties

Compound Name(2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde
PubChem CID142995202
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde
SMILESCN/C=C1/C=CC(C)=CN1C=O
InChIInChI=1S/C9H12N2O/c1-8-3-4-9(5-10-2)11(6-8)7-12/h3-7,10H,1-2H3/b9-5-
InChIKeyDWNORIGREFNVLE-UITAMQMPSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-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 (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde?
The IUPAC name of (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde (CID 142995202) is (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde.
What is the SMILES notation for (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde?
The canonical SMILES for (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde is CN/C=C1/C=CC(C)=CN1C=O.
What is the InChIKey of (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde?
The InChIKey is DWNORIGREFNVLE-UITAMQMPSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8-3-4-9(5-10-2)11(6-8)7-12/h3-7,10H,1-2H3/b9-5-.
What are the key properties of (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde?
(2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-2-(methylaminomethylidene)pyridine-1-carbaldehyde is sourced from PubChem (CID 142995202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).