1-azido-3-(2-methylphenyl)benzene

C13H11N3 — CID 150134337

IUPAC1-azido-3-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C13H11N3/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)15-16-14/h2-9H,1H3
InChIKeyFBXOUHSLXYBEKK-UHFFFAOYSA-N
MW209.25 g/mol
LogP4.60
Rot. Bonds2

About 1-azido-3-(2-methylphenyl)benzene

1-azido-3-(2-methylphenyl)benzene (PubChem CID 150134337) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-azido-3-(2-methylphenyl)benzene.

Molecular Properties

Compound Name1-azido-3-(2-methylphenyl)benzene
PubChem CID150134337
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-azido-3-(2-methylphenyl)benzene
SMILESCc1ccccc1-c1cccc(N=[N+]=[N-])c1
InChIInChI=1S/C13H11N3/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)15-16-14/h2-9H,1H3
InChIKeyFBXOUHSLXYBEKK-UHFFFAOYSA-N
XLogP4.60
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-azido-2-methyl-1-phenylbenzene
CID 151430322
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
4-(3-azidophenyl)-1-methylpyrazole
CID 150230235
2-(3-azidophenyl)-6-methoxypyridine
CID 150094759
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
3-amino-5-azido-2-(2-methylphenyl)benzoic acid
CID 154301465
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-(azidomethyl)-4-(2-methylphenyl)benzene
CID 59969178
1-azido-3-(4-phenylmethoxyphenyl)benzene
CID 169326217
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(2-methylphenyl)benzene?
The IUPAC name of 1-azido-3-(2-methylphenyl)benzene (CID 150134337) is 1-azido-3-(2-methylphenyl)benzene.
What is the SMILES notation for 1-azido-3-(2-methylphenyl)benzene?
The canonical SMILES for 1-azido-3-(2-methylphenyl)benzene is Cc1ccccc1-c1cccc(N=[N+]=[N-])c1.
What is the InChIKey of 1-azido-3-(2-methylphenyl)benzene?
The InChIKey is FBXOUHSLXYBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)15-16-14/h2-9H,1H3.
What are the key properties of 1-azido-3-(2-methylphenyl)benzene?
1-azido-3-(2-methylphenyl)benzene has a molecular weight of 209.25 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(2-methylphenyl)benzene is sourced from PubChem (CID 150134337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).