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

C13H13BrN4O — CID 113436381

IUPACN-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NN)cn2)c1Br
InChIInChI=1S/C13H13BrN4O/c1-8-3-2-4-10(12(8)14)17-13(19)11-6-5-9(18-15)7-16-11/h2-7,18H,15H2,1H3,(H,17,19)
InChIKeyFQXQHGYVVWGQCA-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.69
Rot. Bonds3

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

N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide (PubChem CID 113436381) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
PubChem CID113436381
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NN)cn2)c1Br
InChIInChI=1S/C13H13BrN4O/c1-8-3-2-4-10(12(8)14)17-13(19)11-6-5-9(18-15)7-16-11/h2-7,18H,15H2,1H3,(H,17,19)
InChIKeyFQXQHGYVVWGQCA-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

N-(2-bromo-3-chlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 103481467
N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641911
5-hydrazinyl-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 104642234
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
N-(4-bromo-2-ethylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642974
N-(2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436364
5-(ethylamino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 104640059
5-hydrazinyl-N-(3-iodophenyl)pyridine-2-carboxamide
CID 104642534
N-(4-bromo-2-fluorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642173
N-(5-bromo-2-pyridinyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642521

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide (CID 113436381) is N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(NN)cn2)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide?
The InChIKey is FQXQHGYVVWGQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-3-2-4-10(12(8)14)17-13(19)11-6-5-9(18-15)7-16-11/h2-7,18H,15H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide?
N-(2-bromo-3-methylphenyl)-5-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-(2-bromo-3-methylphenyl)-5-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 113436381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).