methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate

C9H9N3O4 — CID 58366262

IUPACmethyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate
SMILESCOC(=O)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C9H9N3O4/c1-16-9(15)8(14)12-11-7(13)6-4-2-3-5-10-6/h2-5H,1H3,(H,11,13)(H,12,14)
InChIKeyAYDMWKKYRAXSAW-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.98
Rot. Bonds1

About methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate

methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate (PubChem CID 58366262) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate
PubChem CID58366262
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Namemethyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate
SMILESCOC(=O)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C9H9N3O4/c1-16-9(15)8(14)12-11-7(13)6-4-2-3-5-10-6/h2-5H,1H3,(H,11,13)(H,12,14)
InChIKeyAYDMWKKYRAXSAW-UHFFFAOYSA-N
XLogP-0.98
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
N'-(2-hydroxy-3-methoxybenzoyl)pyridine-2-carbohydrazide
CID 69094543
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332350
N'-[4-(4-methoxyphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 9332515
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate?
The IUPAC name of methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate (CID 58366262) is methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate.
What is the SMILES notation for methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate?
The canonical SMILES for methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate is COC(=O)C(=O)NNC(=O)c1ccccn1.
What is the InChIKey of methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate?
The InChIKey is AYDMWKKYRAXSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-16-9(15)8(14)12-11-7(13)6-4-2-3-5-10-6/h2-5H,1H3,(H,11,13)(H,12,14).
What are the key properties of methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate?
methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate has a molecular weight of 223.19 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate is sourced from PubChem (CID 58366262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).