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

C13H10BrN5O — CID 62249046

IUPAC5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)cnc2NN)cc1
InChIInChI=1S/C13H10BrN5O/c14-9-5-11(12(19-16)17-7-9)13(20)18-10-3-1-8(6-15)2-4-10/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyXYYKNBPGNSQZMI-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62249046) has the molecular formula C13H10BrN5O and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID62249046
Molecular FormulaC13H10BrN5O
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC Name5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)cnc2NN)cc1
InChIInChI=1S/C13H10BrN5O/c14-9-5-11(12(19-16)17-7-9)13(20)18-10-3-1-8(6-15)2-4-10/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyXYYKNBPGNSQZMI-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

5-bromo-2-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 62236794
5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248864
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
5-bromo-N-(3-cyanophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62165850
5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 65498887
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide
CID 63565103
5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
CID 62238273
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237098
5-bromo-N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242736
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide (CID 62249046) is 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cc(Br)cnc2NN)cc1.
What is the InChIKey of 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is XYYKNBPGNSQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O/c14-9-5-11(12(19-16)17-7-9)13(20)18-10-3-1-8(6-15)2-4-10/h1-5,7H,16H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-(4-cyanophenyl)-2-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 5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62249046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).