methyl 2-(2-diazoacetyl)pyridine-3-carboxylate

C9H7N3O3 — CID 71413489

IUPACmethyl 2-(2-diazoacetyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H7N3O3/c1-15-9(14)6-3-2-4-11-8(6)7(13)5-12-10/h2-5H,1H3
InChIKeyWVDVSWBBPMNSJK-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.35
Rot. Bonds3

About methyl 2-(2-diazoacetyl)pyridine-3-carboxylate

methyl 2-(2-diazoacetyl)pyridine-3-carboxylate (PubChem CID 71413489) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 2-(2-diazoacetyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-diazoacetyl)pyridine-3-carboxylate
PubChem CID71413489
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Namemethyl 2-(2-diazoacetyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C9H7N3O3/c1-15-9(14)6-3-2-4-11-8(6)7(13)5-12-10/h2-5H,1H3
InChIKeyWVDVSWBBPMNSJK-UHFFFAOYSA-N
XLogP0.35
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-oxopropanoyl)pyridine-3-carboxylate
CID 57318623
methyl 2-(2-bromoacetyl)pyridine-3-carboxylate;hydrobromide
CID 173079683
2-diazo-1-(2-ethyl-3-pyridinyl)ethanone
CID 154447590
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
methyl 3-azidopyridine-2-carboxylate
CID 138989271
methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate
CID 19855252
1-(2-prop-2-enoyl-3-pyridinyl)prop-2-en-1-one
CID 139611910
methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
CID 66966592
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-diazoacetyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-diazoacetyl)pyridine-3-carboxylate (CID 71413489) is methyl 2-(2-diazoacetyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-diazoacetyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-diazoacetyl)pyridine-3-carboxylate is COC(=O)c1cccnc1C(=O)C=[N+]=[N-].
What is the InChIKey of methyl 2-(2-diazoacetyl)pyridine-3-carboxylate?
The InChIKey is WVDVSWBBPMNSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-15-9(14)6-3-2-4-11-8(6)7(13)5-12-10/h2-5H,1H3.
What are the key properties of methyl 2-(2-diazoacetyl)pyridine-3-carboxylate?
methyl 2-(2-diazoacetyl)pyridine-3-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-diazoacetyl)pyridine-3-carboxylate is sourced from PubChem (CID 71413489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).