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

CID 540145
CID 540145
CID 268124
CID 268124
CID 14595814
CID 14595814
CID 45090
CID 45090
CID 116247
CID 116247
CID 2824850
CID 2824850
CID 9820362
CID 9820362
CID 349881
CID 349881
CID 2795948
CID 2795948
CID 2782900
CID 2782900
CID 2784753
CID 2784753
CID 11687511
CID 11687511

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).