N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide

C13H13BrN4O — CID 107578995

IUPACN-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cccc(NN)n2)c1
InChIInChI=1S/C13H13BrN4O/c1-8-5-9(14)7-10(6-8)16-13(19)11-3-2-4-12(17-11)18-15/h2-7H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyYCRUYKPCTGPCDG-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.69
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide

N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide (PubChem CID 107578995) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
PubChem CID107578995
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2cccc(NN)n2)c1
InChIInChI=1S/C13H13BrN4O/c1-8-5-9(14)7-10(6-8)16-13(19)11-3-2-4-12(17-11)18-15/h2-7H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyYCRUYKPCTGPCDG-UHFFFAOYSA-N
XLogP2.69
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.69
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'}

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Related Compounds

6-hydrazinyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 62242538
N-(2,6-dibromophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603480
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
6-hydrazinyl-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913247
N-(5-fluoro-2-methylphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62249406
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
6-hydrazinyl-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 79043427
N-(2-bromo-6-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 107603499
N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238561
N-(2,6-difluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 55050646
N-(3-bromo-5-methylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 107578475
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65480786

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide (CID 107578995) is N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2cccc(NN)n2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is YCRUYKPCTGPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-5-9(14)7-10(6-8)16-13(19)11-3-2-4-12(17-11)18-15/h2-7H,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide?
N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 107578995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).