3-(azidomethyl)-6-methylpyridine-2-carbonitrile

C8H7N5 — CID 22929806

IUPAC3-(azidomethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1ccc(CN=[N+]=[N-])c(C#N)n1
InChIInChI=1S/C8H7N5/c1-6-2-3-7(5-11-13-10)8(4-9)12-6/h2-3H,5H2,1H3
InChIKeySZJZZGCRFBDESH-UHFFFAOYSA-N
MW173.18 g/mol
LogP2.07
Rot. Bonds2

About 3-(azidomethyl)-6-methylpyridine-2-carbonitrile

3-(azidomethyl)-6-methylpyridine-2-carbonitrile (PubChem CID 22929806) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 3-(azidomethyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(azidomethyl)-6-methylpyridine-2-carbonitrile
PubChem CID22929806
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name3-(azidomethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1ccc(CN=[N+]=[N-])c(C#N)n1
InChIInChI=1S/C8H7N5/c1-6-2-3-7(5-11-13-10)8(4-9)12-6/h2-3H,5H2,1H3
InChIKeySZJZZGCRFBDESH-UHFFFAOYSA-N
XLogP2.07
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 52.07
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 3-(azidomethyl)-6-methylpyridine-2-carbonitrile (CID 22929806) is 3-(azidomethyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(azidomethyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-(azidomethyl)-6-methylpyridine-2-carbonitrile is Cc1ccc(CN=[N+]=[N-])c(C#N)n1.
What is the InChIKey of 3-(azidomethyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is SZJZZGCRFBDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-6-2-3-7(5-11-13-10)8(4-9)12-6/h2-3H,5H2,1H3.
What are the key properties of 3-(azidomethyl)-6-methylpyridine-2-carbonitrile?
3-(azidomethyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 173.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 22929806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).