6-azido-2,4-dimethylpyridine-3-carbonitrile

C8H7N5 — CID 130885262

IUPAC6-azido-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N=[N+]=[N-])nc(C)c1C#N
InChIInChI=1S/C8H7N5/c1-5-3-8(12-13-10)11-6(2)7(5)4-9/h3H,1-2H3
InChIKeyJVCRAHUEVAIPCS-UHFFFAOYSA-N
MW173.18 g/mol
LogP2.51
Rot. Bonds1

About 6-azido-2,4-dimethylpyridine-3-carbonitrile

6-azido-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 130885262) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 6-azido-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-azido-2,4-dimethylpyridine-3-carbonitrile
PubChem CID130885262
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name6-azido-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N=[N+]=[N-])nc(C)c1C#N
InChIInChI=1S/C8H7N5/c1-5-3-8(12-13-10)11-6(2)7(5)4-9/h3H,1-2H3
InChIKeyJVCRAHUEVAIPCS-UHFFFAOYSA-N
XLogP2.51
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 52.51
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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Related Compounds

2-azido-6-methylpyridine-4-carbonitrile
CID 114770702
2,4-dimethyl-6-methylsulfanylpyridine-3-carbonitrile
CID 131014317
6-iodo-2,4-dimethylpyridine-3-carbonitrile
CID 89146475
6-bromo-2,4-dimethylpyridine-3-carbonitrile
CID 130825112
6-ethyl-2,4-dimethylpyridine-3-carbonitrile
CID 88990253
2,4-dimethyl-6-propylsulfanylpyridine-3-carbonitrile
CID 130817083
copper;2,4-dimethyl-6-phenylpyridine-3-carbonitrile;dibromide
CID 68902117
3-azido-5-methylpyridazine
CID 106550834
6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
CID 154304998
6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
CID 162636895
2-azido-4-methylbenzonitrile
CID 80583819
6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
CID 126752195

Frequently Asked Questions

What is the IUPAC name of 6-azido-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-azido-2,4-dimethylpyridine-3-carbonitrile (CID 130885262) is 6-azido-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-azido-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-azido-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(N=[N+]=[N-])nc(C)c1C#N.
What is the InChIKey of 6-azido-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is JVCRAHUEVAIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-5-3-8(12-13-10)11-6(2)7(5)4-9/h3H,1-2H3.
What are the key properties of 6-azido-2,4-dimethylpyridine-3-carbonitrile?
6-azido-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 173.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 130885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).