N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide

C13H9BrFN3O2 — CID 9331928

IUPACN'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)ccc1F)c1ccccn1
InChIInChI=1S/C13H9BrFN3O2/c14-8-4-5-10(15)9(7-8)12(19)17-18-13(20)11-3-1-2-6-16-11/h1-7H,(H,17,19)(H,18,20)
InChIKeyJLAOARCKUZGXSQ-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.06
Rot. Bonds2

About N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide

N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide (PubChem CID 9331928) has the molecular formula C13H9BrFN3O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
PubChem CID9331928
Molecular FormulaC13H9BrFN3O2
Molecular Weight338.14 g/mol
Exact Mass336.99
IUPAC NameN'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Br)ccc1F)c1ccccn1
InChIInChI=1S/C13H9BrFN3O2/c14-8-4-5-10(15)9(7-8)12(19)17-18-13(20)11-3-1-2-6-16-11/h1-7H,(H,17,19)(H,18,20)
InChIKeyJLAOARCKUZGXSQ-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.06
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

N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
CID 3448394
N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
CID 42015952
1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
5-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 113267905
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
N'-(4,5-dibromothiophene-2-carbonyl)pyridine-2-carbohydrazide
CID 9330718

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide (CID 9331928) is N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide is O=C(NNC(=O)c1cc(Br)ccc1F)c1ccccn1.
What is the InChIKey of N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide?
The InChIKey is JLAOARCKUZGXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O2/c14-8-4-5-10(15)9(7-8)12(19)17-18-13(20)11-3-1-2-6-16-11/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide?
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide has a molecular weight of 338.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 9331928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).