5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one

C11H11BrN4O — CID 79233119

IUPAC5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one
SMILESNNc1cccc(Cn2cc(Br)ccc2=O)n1
InChIInChI=1S/C11H11BrN4O/c12-8-4-5-11(17)16(6-8)7-9-2-1-3-10(14-9)15-13/h1-6H,7,13H2,(H,14,15)
InChIKeyIHLLFQPYIUXSIU-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.34
Rot. Bonds3

About 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one

5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one (PubChem CID 79233119) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one
PubChem CID79233119
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one
SMILESNNc1cccc(Cn2cc(Br)ccc2=O)n1
InChIInChI=1S/C11H11BrN4O/c12-8-4-5-11(17)16(6-8)7-9-2-1-3-10(14-9)15-13/h1-6H,7,13H2,(H,14,15)
InChIKeyIHLLFQPYIUXSIU-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
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

1-{4-[(6-Aminopyridin-2-yl)methyl]piperazin-1-yl}ethan-1-one
CID 71683243
6-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55052558
6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55052745
N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235695
N-ethyl-N-(3-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235718
6-hydrazinyl-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235795
6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235821
N-ethyl-N-(4-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62236096
N-ethyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62236803
N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62248725
N-(4-fluorophenyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248900
N-(2-fluorophenyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one (CID 79233119) is 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one is NNc1cccc(Cn2cc(Br)ccc2=O)n1.
What is the InChIKey of 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one?
The InChIKey is IHLLFQPYIUXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-8-4-5-11(17)16(6-8)7-9-2-1-3-10(14-9)15-13/h1-6H,7,13H2,(H,14,15).
What are the key properties of 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one?
5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(6-hydrazinyl-2-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 79233119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).