[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate

C15H12ClN3O4 — CID 2515323

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O4/c16-13-11(7-4-8-17-13)15(22)23-9-12(20)18-19-14(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyWBTCOHOIOHTKFX-UHFFFAOYSA-N
MW333.73 g/mol
LogP1.35
Rot. Bonds4

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate (PubChem CID 2515323) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
PubChem CID2515323
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O4/c16-13-11(7-4-8-17-13)15(22)23-9-12(20)18-19-14(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyWBTCOHOIOHTKFX-UHFFFAOYSA-N
XLogP1.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(2-chloropyridine-3-carbonyl)oxy-2-oxopropyl] 2-chloropyridine-3-carboxylate
CID 2435270
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 2428089
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 2594288
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-chloropyridine-3-carboxylate
CID 7867520
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515793
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 18105543
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 23999374

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate (CID 2515323) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Cl)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The InChIKey is WBTCOHOIOHTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-13-11(7-4-8-17-13)15(22)23-9-12(20)18-19-14(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate has a molecular weight of 333.73 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2515323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).