2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide

C13H9BrF2N4O2 — CID 175314264

IUPAC2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide
SMILESNc1ncc(Br)cc1C(=O)N(N)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H9BrF2N4O2/c14-6-3-9(11(17)19-5-6)13(22)20(18)12(21)8-4-7(15)1-2-10(8)16/h1-5H,18H2,(H2,17,19)
InChIKeyQDWGVNZBPVOTOC-UHFFFAOYSA-N
MW371.14 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide

2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 175314264) has the molecular formula C13H9BrF2N4O2 and a molecular weight of 371.14 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide
PubChem CID175314264
Molecular FormulaC13H9BrF2N4O2
Molecular Weight371.14 g/mol
Exact Mass369.99
IUPAC Name2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide
SMILESNc1ncc(Br)cc1C(=O)N(N)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H9BrF2N4O2/c14-6-3-9(11(17)19-5-6)13(22)20(18)12(21)8-4-7(15)1-2-10(8)16/h1-5H,18H2,(H2,17,19)
InChIKeyQDWGVNZBPVOTOC-UHFFFAOYSA-N
XLogP1.86
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromo-N-(2,5-difluorobenzoyl)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

2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
CID 107923818
2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 55042078
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one
CID 143384692
2-amino-5-bromo-N-(4-bromo-3-fluorophenyl)pyridine-3-carboxamide
CID 65437608
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897
2-amino-5-bromo-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 62160905
2-amino-5-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62161411

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide (CID 175314264) is 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide is Nc1ncc(Br)cc1C(=O)N(N)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is QDWGVNZBPVOTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N4O2/c14-6-3-9(11(17)19-5-6)13(22)20(18)12(21)8-4-7(15)1-2-10(8)16/h1-5H,18H2,(H2,17,19).
What are the key properties of 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide?
2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 371.14 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 175314264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).