2-azido-6-methylpyridine-4-carbonitrile

C7H5N5 — CID 114770702

IUPAC2-azido-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N=[N+]=[N-])n1
InChIInChI=1S/C7H5N5/c1-5-2-6(4-8)3-7(10-5)11-12-9/h2-3H,1H3
InChIKeyFAIFGSGVFBUKKS-UHFFFAOYSA-N
MW159.15 g/mol
LogP2.20
Rot. Bonds1

About 2-azido-6-methylpyridine-4-carbonitrile

2-azido-6-methylpyridine-4-carbonitrile (PubChem CID 114770702) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-azido-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-azido-6-methylpyridine-4-carbonitrile
PubChem CID114770702
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name2-azido-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N=[N+]=[N-])n1
InChIInChI=1S/C7H5N5/c1-5-2-6(4-8)3-7(10-5)11-12-9/h2-3H,1H3
InChIKeyFAIFGSGVFBUKKS-UHFFFAOYSA-N
XLogP2.20
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-6-methylpyridine-4-carbonitrile 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-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-azido-6-methylpyridine-4-carbonitrile (CID 114770702) is 2-azido-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-azido-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-azido-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N=[N+]=[N-])n1.
What is the InChIKey of 2-azido-6-methylpyridine-4-carbonitrile?
The InChIKey is FAIFGSGVFBUKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-5-2-6(4-8)3-7(10-5)11-12-9/h2-3H,1H3.
What are the key properties of 2-azido-6-methylpyridine-4-carbonitrile?
2-azido-6-methylpyridine-4-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).