1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

C13H11Cl2N3O2 — CID 2764885

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESNNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C13H11Cl2N3O2/c14-9-4-3-8(11(15)6-9)7-18-5-1-2-10(13(18)20)12(19)17-16/h1-6H,7,16H2,(H,17,19)
InChIKeyPMSQUDXCOXUXKY-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.81
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (PubChem CID 2764885) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
PubChem CID2764885
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESNNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C13H11Cl2N3O2/c14-9-4-3-8(11(15)6-9)7-18-5-1-2-10(13(18)20)12(19)17-16/h1-6H,7,16H2,(H,17,19)
InChIKeyPMSQUDXCOXUXKY-UHFFFAOYSA-N
XLogP1.81
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (CID 2764885) is 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The InChIKey is PMSQUDXCOXUXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-9-4-3-8(11(15)6-9)7-18-5-1-2-10(13(18)20)12(19)17-16/h1-6H,7,16H2,(H,17,19).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide has a molecular weight of 312.16 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 2764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).