5-chloro-2-oxo-1H-pyridine-3-carbohydrazide

C6H6ClN3O2 — CID 133056785

IUPAC5-chloro-2-oxo-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H6ClN3O2/c7-3-1-4(6(12)10-8)5(11)9-2-3/h1-2H,8H2,(H,9,11)(H,10,12)
InChIKeyPJIBIKINMROVES-UHFFFAOYSA-N
MW187.59 g/mol
LogP-0.37
Rot. Bonds1

About 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide

5-chloro-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 133056785) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-chloro-2-oxo-1H-pyridine-3-carbohydrazide
PubChem CID133056785
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name5-chloro-2-oxo-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H6ClN3O2/c7-3-1-4(6(12)10-8)5(11)9-2-3/h1-2H,8H2,(H,9,11)(H,10,12)
InChIKeyPJIBIKINMROVES-UHFFFAOYSA-N
XLogP-0.37
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide (CID 133056785) is 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide is NNC(=O)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is PJIBIKINMROVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c7-3-1-4(6(12)10-8)5(11)9-2-3/h1-2H,8H2,(H,9,11)(H,10,12).
What are the key properties of 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide?
5-chloro-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 187.59 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 133056785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).