2-azido-1-pyridin-4-ylethanone

C7H6N4O — CID 98883069

IUPAC2-azido-1-pyridin-4-ylethanone
SMILES[N-]=[N+]=NCC(=O)c1ccncc1
InChIInChI=1S/C7H6N4O/c8-11-10-5-7(12)6-1-3-9-4-2-6/h1-4H,5H2
InChIKeyVRYRKPOCLNYALW-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.57
Rot. Bonds3

About 2-azido-1-pyridin-4-ylethanone

2-azido-1-pyridin-4-ylethanone (PubChem CID 98883069) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-azido-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-azido-1-pyridin-4-ylethanone
PubChem CID98883069
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name2-azido-1-pyridin-4-ylethanone
SMILES[N-]=[N+]=NCC(=O)c1ccncc1
InChIInChI=1S/C7H6N4O/c8-11-10-5-7(12)6-1-3-9-4-2-6/h1-4H,5H2
InChIKeyVRYRKPOCLNYALW-UHFFFAOYSA-N
XLogP1.57
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.57
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

4-(2-azidoacetyl)benzoic acid
CID 143075130
2-azido-1-phenylethanone;ethane
CID 90958641
2-azido-N-(pyridin-4-ylmethyl)acetamide
CID 112708135
N-[4-(2-azidoacetyl)phenyl]propanamide
CID 98883079
2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone
CID 153052694
2-azido-1-(2-hydroxyphenyl)ethanone
CID 4017474
2-azido-1-(2-fluorophenyl)ethanone
CID 53416484
2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 86052443
2-azido-1-(4-methyl-3-nitrophenyl)ethanone
CID 98883094
2-azido-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 86632013
4-oxo-4-pyridin-4-ylbutanehydrazide
CID 173353561
2-(4-aminophenyl)-1-pyridin-4-ylethanone
CID 154541759

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-pyridin-4-ylethanone?
The IUPAC name of 2-azido-1-pyridin-4-ylethanone (CID 98883069) is 2-azido-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-azido-1-pyridin-4-ylethanone?
The canonical SMILES for 2-azido-1-pyridin-4-ylethanone is [N-]=[N+]=NCC(=O)c1ccncc1.
What is the InChIKey of 2-azido-1-pyridin-4-ylethanone?
The InChIKey is VRYRKPOCLNYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-11-10-5-7(12)6-1-3-9-4-2-6/h1-4H,5H2.
What are the key properties of 2-azido-1-pyridin-4-ylethanone?
2-azido-1-pyridin-4-ylethanone has a molecular weight of 162.15 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-pyridin-4-ylethanone is sourced from PubChem (CID 98883069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).