6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde

C10H9N3O — CID 141380542

IUPAC6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde
SMILESCc1ccc(-n2cccn2)c(C=O)n1
InChIInChI=1S/C10H9N3O/c1-8-3-4-10(9(7-14)12-8)13-6-2-5-11-13/h2-7H,1H3
InChIKeyAGEYKIOQJKPOKQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.39
Rot. Bonds2

About 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde

6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde (PubChem CID 141380542) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde
PubChem CID141380542
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde
SMILESCc1ccc(-n2cccn2)c(C=O)n1
InChIInChI=1S/C10H9N3O/c1-8-3-4-10(9(7-14)12-8)13-6-2-5-11-13/h2-7H,1H3
InChIKeyAGEYKIOQJKPOKQ-UHFFFAOYSA-N
XLogP1.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-3-pyrazol-1-ylpyridine-2-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-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde (CID 141380542) is 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde is Cc1ccc(-n2cccn2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde?
The InChIKey is AGEYKIOQJKPOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8-3-4-10(9(7-14)12-8)13-6-2-5-11-13/h2-7H,1H3.
What are the key properties of 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde?
6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyrazol-1-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 141380542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).