N'-benzoyl-5-bromopyridine-3-carbohydrazide

C13H10BrN3O2 — CID 40613239

IUPACN'-benzoyl-5-bromopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C13H10BrN3O2/c14-11-6-10(7-15-8-11)13(19)17-16-12(18)9-4-2-1-3-5-9/h1-8H,(H,16,18)(H,17,19)
InChIKeyLXTIJJYAUKKJAH-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.92
Rot. Bonds2

About N'-benzoyl-5-bromopyridine-3-carbohydrazide

N'-benzoyl-5-bromopyridine-3-carbohydrazide (PubChem CID 40613239) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N'-benzoyl-5-bromopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-bromopyridine-3-carbohydrazide
PubChem CID40613239
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN'-benzoyl-5-bromopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C13H10BrN3O2/c14-11-6-10(7-15-8-11)13(19)17-16-12(18)9-4-2-1-3-5-9/h1-8H,(H,16,18)(H,17,19)
InChIKeyLXTIJJYAUKKJAH-UHFFFAOYSA-N
XLogP1.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate
CID 8871469
1-benzyl-3-[(5-bromopyridine-3-carbonyl)amino]thiourea
CID 7977781
5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
CID 90867123
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18159243
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
CID 9077503
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
5-bromo-N'-(4-bromo-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 9255864
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-bromopyridine-3-carbohydrazide?
The IUPAC name of N'-benzoyl-5-bromopyridine-3-carbohydrazide (CID 40613239) is N'-benzoyl-5-bromopyridine-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-bromopyridine-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-bromopyridine-3-carbohydrazide is O=C(NNC(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-5-bromopyridine-3-carbohydrazide?
The InChIKey is LXTIJJYAUKKJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-11-6-10(7-15-8-11)13(19)17-16-12(18)9-4-2-1-3-5-9/h1-8H,(H,16,18)(H,17,19).
What are the key properties of N'-benzoyl-5-bromopyridine-3-carbohydrazide?
N'-benzoyl-5-bromopyridine-3-carbohydrazide has a molecular weight of 320.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-bromopyridine-3-carbohydrazide is sourced from PubChem (CID 40613239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).