2-(azidomethyl)-6-(3-methylphenyl)pyridine

C13H12N4 — CID 153457015

IUPAC2-(azidomethyl)-6-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccc(CN=[N+]=[N-])n2)c1
InChIInChI=1S/C13H12N4/c1-10-4-2-5-11(8-10)13-7-3-6-12(16-13)9-15-17-14/h2-8H,9H2,1H3
InChIKeyIJGWLAIWMVOXIB-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.87
Rot. Bonds3

About 2-(azidomethyl)-6-(3-methylphenyl)pyridine

2-(azidomethyl)-6-(3-methylphenyl)pyridine (PubChem CID 153457015) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(azidomethyl)-6-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-6-(3-methylphenyl)pyridine
PubChem CID153457015
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-(azidomethyl)-6-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccc(CN=[N+]=[N-])n2)c1
InChIInChI=1S/C13H12N4/c1-10-4-2-5-11(8-10)13-7-3-6-12(16-13)9-15-17-14/h2-8H,9H2,1H3
InChIKeyIJGWLAIWMVOXIB-UHFFFAOYSA-N
XLogP3.87
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

2-[6-(3-methylphenyl)-2-pyridinyl]ethanol
CID 117001692
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728
2-(3-methylphenyl)-6-propan-2-ylpyridine
CID 142459956
2-(azidomethyl)-6-(1-ethylcyclobutyl)pyridine
CID 135272793
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
2-(azidomethyl)-6-(trityloxymethyl)pyridine
CID 86066890
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
1-(azidomethyl)-3-(3-isocyanophenyl)-5-methylbenzene
CID 22983137
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
2-[6-(4-methylphenyl)-2-pyridinyl]acetonitrile
CID 117001971
4,6-bis(3-methylphenyl)-2-(2,2,6,6-tetramethylheptan-4-yl)pyrimidine
CID 175547828

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-(3-methylphenyl)pyridine?
The IUPAC name of 2-(azidomethyl)-6-(3-methylphenyl)pyridine (CID 153457015) is 2-(azidomethyl)-6-(3-methylphenyl)pyridine.
What is the SMILES notation for 2-(azidomethyl)-6-(3-methylphenyl)pyridine?
The canonical SMILES for 2-(azidomethyl)-6-(3-methylphenyl)pyridine is Cc1cccc(-c2cccc(CN=[N+]=[N-])n2)c1.
What is the InChIKey of 2-(azidomethyl)-6-(3-methylphenyl)pyridine?
The InChIKey is IJGWLAIWMVOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-10-4-2-5-11(8-10)13-7-3-6-12(16-13)9-15-17-14/h2-8H,9H2,1H3.
What are the key properties of 2-(azidomethyl)-6-(3-methylphenyl)pyridine?
2-(azidomethyl)-6-(3-methylphenyl)pyridine has a molecular weight of 224.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-(3-methylphenyl)pyridine is sourced from PubChem (CID 153457015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).