N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide

C13H10N4O4 — CID 3127390

IUPACN'-(2-nitrobenzoyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C13H10N4O4/c18-12(9-5-1-2-7-11(9)17(20)21)15-16-13(19)10-6-3-4-8-14-10/h1-8H,(H,15,18)(H,16,19)
InChIKeyPIBAUNUWYKCFCJ-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.06
Rot. Bonds3

About N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide

N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide (PubChem CID 3127390) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-nitrobenzoyl)pyridine-2-carbohydrazide
PubChem CID3127390
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC NameN'-(2-nitrobenzoyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C13H10N4O4/c18-12(9-5-1-2-7-11(9)17(20)21)15-16-13(19)10-6-3-4-8-14-10/h1-8H,(H,15,18)(H,16,19)
InChIKeyPIBAUNUWYKCFCJ-UHFFFAOYSA-N
XLogP1.06
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide (CID 3127390) is N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide?
The InChIKey is PIBAUNUWYKCFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-12(9-5-1-2-7-11(9)17(20)21)15-16-13(19)10-6-3-4-8-14-10/h1-8H,(H,15,18)(H,16,19).
What are the key properties of N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide?
N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide has a molecular weight of 286.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrobenzoyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 3127390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).