2-azido-5-methylpyridine-3-carbaldehyde

C7H6N4O — CID 146342437

IUPAC2-azido-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(N=[N+]=[N-])c(C=O)c1
InChIInChI=1S/C7H6N4O/c1-5-2-6(4-12)7(9-3-5)10-11-8/h2-4H,1H3
InChIKeyXDOUQAUAQFCLJZ-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.14
Rot. Bonds2

About 2-azido-5-methylpyridine-3-carbaldehyde

2-azido-5-methylpyridine-3-carbaldehyde (PubChem CID 146342437) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-azido-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-azido-5-methylpyridine-3-carbaldehyde
PubChem CID146342437
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-azido-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(N=[N+]=[N-])c(C=O)c1
InChIInChI=1S/C7H6N4O/c1-5-2-6(4-12)7(9-3-5)10-11-8/h2-4H,1H3
InChIKeyXDOUQAUAQFCLJZ-UHFFFAOYSA-N
XLogP2.14
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-5-methylpyridine-3-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 2-azido-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-azido-5-methylpyridine-3-carbaldehyde (CID 146342437) is 2-azido-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-azido-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-azido-5-methylpyridine-3-carbaldehyde is Cc1cnc(N=[N+]=[N-])c(C=O)c1.
What is the InChIKey of 2-azido-5-methylpyridine-3-carbaldehyde?
The InChIKey is XDOUQAUAQFCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-5-2-6(4-12)7(9-3-5)10-11-8/h2-4H,1H3.
What are the key properties of 2-azido-5-methylpyridine-3-carbaldehyde?
2-azido-5-methylpyridine-3-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 146342437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).