N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C13H12BrFN4O — CID 105388066

IUPACN-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1nccc(C(=O)NCc2ccccc2Br)c1F
InChIInChI=1S/C13H12BrFN4O/c14-10-4-2-1-3-8(10)7-18-13(20)9-5-6-17-12(19-16)11(9)15/h1-6H,7,16H2,(H,17,19)(H,18,20)
InChIKeyRMEFZUCZHFWTMG-UHFFFAOYSA-N
MW339.17 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105388066) has the molecular formula C13H12BrFN4O and a molecular weight of 339.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105388066
Molecular FormulaC13H12BrFN4O
Molecular Weight339.17 g/mol
Exact Mass338.02
IUPAC NameN-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1nccc(C(=O)NCc2ccccc2Br)c1F
InChIInChI=1S/C13H12BrFN4O/c14-10-4-2-1-3-8(10)7-18-13(20)9-5-6-17-12(19-16)11(9)15/h1-6H,7,16H2,(H,17,19)(H,18,20)
InChIKeyRMEFZUCZHFWTMG-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 N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-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

3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 105387848
3-fluoro-2-hydrazinyl-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 105387918
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
3-fluoro-2-hydrazinyl-N-(2-propylphenyl)pyridine-4-carboxamide
CID 105388094
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
N-(4-bromophenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387967
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387949
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105388066) is N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide is NNc1nccc(C(=O)NCc2ccccc2Br)c1F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is RMEFZUCZHFWTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O/c14-10-4-2-1-3-8(10)7-18-13(20)9-5-6-17-12(19-16)11(9)15/h1-6H,7,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-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 N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105388066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).