5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide

C13H12BrFN4O — CID 62241265

IUPAC5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H12BrFN4O/c14-9-5-11(12(19-16)17-7-9)13(20)18-6-8-2-1-3-10(15)4-8/h1-5,7H,6,16H2,(H,17,19)(H,18,20)
InChIKeyFZFUZBHJIAZHAA-UHFFFAOYSA-N
MW339.17 g/mol
LogP2.20
Rot. Bonds4

About 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62241265) has the molecular formula C13H12BrFN4O and a molecular weight of 339.17 g/mol. Its IUPAC name is 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
PubChem CID62241265
Molecular FormulaC13H12BrFN4O
Molecular Weight339.17 g/mol
Exact Mass338.02
IUPAC Name5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H12BrFN4O/c14-9-5-11(12(19-16)17-7-9)13(20)18-6-8-2-1-3-10(15)4-8/h1-5,7H,6,16H2,(H,17,19)(H,18,20)
InChIKeyFZFUZBHJIAZHAA-UHFFFAOYSA-N
XLogP2.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide 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

5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-5-bromo-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 59738234
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
4-bromo-N-[(3-fluorophenyl)methyl]-2-sulfanylbenzamide
CID 107022076
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 65498887
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide (CID 62241265) is 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is FZFUZBHJIAZHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O/c14-9-5-11(12(19-16)17-7-9)13(20)18-6-8-2-1-3-10(15)4-8/h1-5,7H,6,16H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 339.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62241265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).