N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide

C13H10BrN3O3 — CID 17499079

IUPACN'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O3/c14-9-5-3-8(4-6-9)11(18)16-17-13(20)10-2-1-7-15-12(10)19/h1-7H,(H,15,19)(H,16,18)(H,17,20)
InChIKeyHYIKBPHJLBROTC-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.21
Rot. Bonds2

About N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide

N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 17499079) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide
PubChem CID17499079
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC NameN'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O3/c14-9-5-3-8(4-6-9)11(18)16-17-13(20)10-2-1-7-15-12(10)19/h1-7H,(H,15,19)(H,16,18)(H,17,20)
InChIKeyHYIKBPHJLBROTC-UHFFFAOYSA-N
XLogP1.21
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(4-bromobenzoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 43046479
N-(5-bromo-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60655160
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 78773955
4-bromo-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]benzamide
CID 126011313
N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114262173
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(4-bromo-3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114259349
3-(2-bromoacetyl)-1H-pyridin-2-one
CID 45081162
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
N'-(4-bromobenzoyl)-2,6-difluorobenzohydrazide
CID 36702536

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide (CID 17499079) is N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is HYIKBPHJLBROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-9-5-3-8(4-6-9)11(18)16-17-13(20)10-2-1-7-15-12(10)19/h1-7H,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide?
N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 336.15 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 17499079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).