2-diazo-1-(2-ethyl-3-pyridinyl)ethanone

C9H9N3O — CID 154447590

IUPAC2-diazo-1-(2-ethyl-3-pyridinyl)ethanone
SMILESCCc1ncccc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H9N3O/c1-2-8-7(4-3-5-11-8)9(13)6-12-10/h3-6H,2H2,1H3
InChIKeyYXNQKTCAFGIXII-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.13
Rot. Bonds3

About 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone

2-diazo-1-(2-ethyl-3-pyridinyl)ethanone (PubChem CID 154447590) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(2-ethyl-3-pyridinyl)ethanone
PubChem CID154447590
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-diazo-1-(2-ethyl-3-pyridinyl)ethanone
SMILESCCc1ncccc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H9N3O/c1-2-8-7(4-3-5-11-8)9(13)6-12-10/h3-6H,2H2,1H3
InChIKeyYXNQKTCAFGIXII-UHFFFAOYSA-N
XLogP1.13
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-diazoacetyl)pyridine-3-carboxylate
CID 71413489
5-(2-ethyl-3-pyridinyl)-2,2-dimethyl-5-oxopentanoic acid
CID 176969003
N'-amino-2-ethylpyridine-3-carboximidamide
CID 141290958
2,3-diethylpyridine
CID 14747123
2-ethyl-3-isocyanopyridine
CID 157404495
2-diazo-1-(2-hept-1-ynylphenyl)ethanone
CID 73096894
3-tert-butyl-2-ethylpyridine
CID 20664467
1-(2-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458902
1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 130055276
2-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198834
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
1-(2-chloro-3-pyridinyl)but-2-en-1-one
CID 78128433

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone?
The IUPAC name of 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone (CID 154447590) is 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone is CCc1ncccc1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone?
The InChIKey is YXNQKTCAFGIXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-8-7(4-3-5-11-8)9(13)6-12-10/h3-6H,2H2,1H3.
What are the key properties of 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone?
2-diazo-1-(2-ethyl-3-pyridinyl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(2-ethyl-3-pyridinyl)ethanone is sourced from PubChem (CID 154447590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).