N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide

C13H10BrN5O — CID 107793977

IUPACN-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NN)nc2)c(Br)c1
InChIInChI=1S/C13H10BrN5O/c14-10-5-8(6-15)1-3-11(10)18-13(20)9-2-4-12(19-16)17-7-9/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyWNGYMVPOEGQBJP-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.25
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide

N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 107793977) has the molecular formula C13H10BrN5O and a molecular weight of 332.16 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID107793977
Molecular FormulaC13H10BrN5O
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC NameN-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NN)nc2)c(Br)c1
InChIInChI=1S/C13H10BrN5O/c14-10-5-8(6-15)1-3-11(10)18-13(20)9-2-4-12(19-16)17-7-9/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyWNGYMVPOEGQBJP-UHFFFAOYSA-N
XLogP2.25
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
N-(2-bromo-4-nitrophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107810326
N-(2-bromo-4-cyanophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107793985
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
N-(2,5-dibromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62247489
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridine-3-carboxamide
CID 109164780
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide (CID 107793977) is N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(NN)nc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is WNGYMVPOEGQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O/c14-10-5-8(6-15)1-3-11(10)18-13(20)9-2-4-12(19-16)17-7-9/h1-5,7H,16H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide?
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 107793977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).