formyl azide;pyridine

C6H6N4O — CID 174949734

IUPACformyl azide;pyridine
SMILES[N-]=[N+]=NC=O.c1ccncc1
InChIInChI=1S/C5H5N.CHN3O/c1-2-4-6-5-3-1;2-4-3-1-5/h1-5H;1H
InChIKeyYWJOMXQMDSITEI-UHFFFAOYSA-N
MW150.14 g/mol
LogP1.53
Rot. Bonds1

About formyl azide;pyridine

formyl azide;pyridine (PubChem CID 174949734) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is formyl azide;pyridine.

Molecular Properties

Compound Nameformyl azide;pyridine
PubChem CID174949734
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Nameformyl azide;pyridine
SMILES[N-]=[N+]=NC=O.c1ccncc1
InChIInChI=1S/C5H5N.CHN3O/c1-2-4-6-5-3-1;2-4-3-1-5/h1-5H;1H
InChIKeyYWJOMXQMDSITEI-UHFFFAOYSA-N
XLogP1.53
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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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Frequently Asked Questions

What is the IUPAC name of formyl azide;pyridine?
The IUPAC name of formyl azide;pyridine (CID 174949734) is formyl azide;pyridine.
What is the SMILES notation for formyl azide;pyridine?
The canonical SMILES for formyl azide;pyridine is [N-]=[N+]=NC=O.c1ccncc1.
What is the InChIKey of formyl azide;pyridine?
The InChIKey is YWJOMXQMDSITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.CHN3O/c1-2-4-6-5-3-1;2-4-3-1-5/h1-5H;1H.
What are the key properties of formyl azide;pyridine?
formyl azide;pyridine has a molecular weight of 150.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formyl azide;pyridine is sourced from PubChem (CID 174949734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).