2,6-dimethylpyridine-3,5-dicarbonyl azide

C9H7N7O2 — CID 13287143

IUPAC2,6-dimethylpyridine-3,5-dicarbonyl azide
SMILESCc1nc(C)c(C(=O)N=[N+]=[N-])cc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C9H7N7O2/c1-4-6(8(17)13-15-10)3-7(5(2)12-4)9(18)14-16-11/h3H,1-2H3
InChIKeySCIYBMKTMVYJCR-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.60
Rot. Bonds2

About 2,6-dimethylpyridine-3,5-dicarbonyl azide

2,6-dimethylpyridine-3,5-dicarbonyl azide (PubChem CID 13287143) has the molecular formula C9H7N7O2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,6-dimethylpyridine-3,5-dicarbonyl azide.

Molecular Properties

Compound Name2,6-dimethylpyridine-3,5-dicarbonyl azide
PubChem CID13287143
Molecular FormulaC9H7N7O2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,6-dimethylpyridine-3,5-dicarbonyl azide
SMILESCc1nc(C)c(C(=O)N=[N+]=[N-])cc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C9H7N7O2/c1-4-6(8(17)13-15-10)3-7(5(2)12-4)9(18)14-16-11/h3H,1-2H3
InChIKeySCIYBMKTMVYJCR-UHFFFAOYSA-N
XLogP2.60
TPSA144.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.60
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

5-bromo-2-methylfuran-3-carbonyl azide
CID 131002370
3-bromo-4-methylbenzoyl azide
CID 81472134
2,3,4,5-tetrafluorobenzoyl azide
CID 56933865
3-methyl-2-phenylquinoline-4-carbonyl azide
CID 139234731
2,3-difluorobenzoyl azide
CID 62661740
ethyl 2-(2-carbonazidoylphenyl)benzoate
CID 24938767
4-(4-carbonazidoylphenyl)benzoyl azide
CID 101036064
2-methoxy-5-methylsulfonylbenzoyl azide
CID 71381109
S-(5-carbonazidoyl-2-chloro-4-fluorophenyl) 2,3-dimethylbutanethioate
CID 139701223
anthracene-2-carbonyl azide
CID 102488485
2-(2,2-dimethylpropanoyl)furan-3-carbonyl azide
CID 19382364
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine-3,5-dicarbonyl azide?
The IUPAC name of 2,6-dimethylpyridine-3,5-dicarbonyl azide (CID 13287143) is 2,6-dimethylpyridine-3,5-dicarbonyl azide.
What is the SMILES notation for 2,6-dimethylpyridine-3,5-dicarbonyl azide?
The canonical SMILES for 2,6-dimethylpyridine-3,5-dicarbonyl azide is Cc1nc(C)c(C(=O)N=[N+]=[N-])cc1C(=O)N=[N+]=[N-].
What is the InChIKey of 2,6-dimethylpyridine-3,5-dicarbonyl azide?
The InChIKey is SCIYBMKTMVYJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7O2/c1-4-6(8(17)13-15-10)3-7(5(2)12-4)9(18)14-16-11/h3H,1-2H3.
What are the key properties of 2,6-dimethylpyridine-3,5-dicarbonyl azide?
2,6-dimethylpyridine-3,5-dicarbonyl azide has a molecular weight of 245.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine-3,5-dicarbonyl azide is sourced from PubChem (CID 13287143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).