[2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate

C14H12ClN3O4 — CID 118694034

IUPAC[2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate
SMILESCn1c(C(=O)ONNC(=O)c2ccc(Cl)cc2)cccc1=O
InChIInChI=1S/C14H12ClN3O4/c1-18-11(3-2-4-12(18)19)14(21)22-17-16-13(20)9-5-7-10(15)8-6-9/h2-8,17H,1H3,(H,16,20)
InChIKeyLIKYOSZBBWEROD-UHFFFAOYSA-N
MW321.72 g/mol
LogP1.05
Rot. Bonds4

About [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate

[2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate (PubChem CID 118694034) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate
PubChem CID118694034
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name[2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate
SMILESCn1c(C(=O)ONNC(=O)c2ccc(Cl)cc2)cccc1=O
InChIInChI=1S/C14H12ClN3O4/c1-18-11(3-2-4-12(18)19)14(21)22-17-16-13(20)9-5-7-10(15)8-6-9/h2-8,17H,1H3,(H,16,20)
InChIKeyLIKYOSZBBWEROD-UHFFFAOYSA-N
XLogP1.05
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate
CID 67367655
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-chloro-N-propan-2-ylbenzamide
CID 24045
(2-bromo-4,6-difluorophenyl) 1-methyl-6-oxopyridine-2-carboxylate
CID 75476978
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
2-[[4-[(1-methyl-6-oxopyridine-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 138044383
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
6-[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 164643258
methyl 3-chloro-5-(2-oxo-1-pyridinyl)benzoate
CID 142687626
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate?
The IUPAC name of [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate (CID 118694034) is [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate.
What is the SMILES notation for [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate?
The canonical SMILES for [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate is Cn1c(C(=O)ONNC(=O)c2ccc(Cl)cc2)cccc1=O.
What is the InChIKey of [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate?
The InChIKey is LIKYOSZBBWEROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-18-11(3-2-4-12(18)19)14(21)22-17-16-13(20)9-5-7-10(15)8-6-9/h2-8,17H,1H3,(H,16,20).
What are the key properties of [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate?
[2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate has a molecular weight of 321.72 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorobenzoyl)hydrazinyl] 1-methyl-6-oxopyridine-2-carboxylate is sourced from PubChem (CID 118694034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).