3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one

C11H11BrN4O — CID 114761524

IUPAC3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
SMILESNNc1ncccc1Cn1cccc(Br)c1=O
InChIInChI=1S/C11H11BrN4O/c12-9-4-2-6-16(11(9)17)7-8-3-1-5-14-10(8)15-13/h1-6H,7,13H2,(H,14,15)
InChIKeyOHIIRMLJXXATBR-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.34
Rot. Bonds3

About 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one

3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one (PubChem CID 114761524) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
PubChem CID114761524
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
SMILESNNc1ncccc1Cn1cccc(Br)c1=O
InChIInChI=1S/C11H11BrN4O/c12-9-4-2-6-16(11(9)17)7-8-3-1-5-14-10(8)15-13/h1-6H,7,13H2,(H,14,15)
InChIKeyOHIIRMLJXXATBR-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-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172479
3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one
CID 114761443
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
CID 80582560
5-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446794
4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
CID 66062201
3-bromo-1-[(2-methylphenyl)methyl]pyridin-2-one
CID 114761203
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 114761354
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
CID 114760822
1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
CID 114760067
[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470161
2-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82147056

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one (CID 114761524) is 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one is NNc1ncccc1Cn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one?
The InChIKey is OHIIRMLJXXATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-9-4-2-6-16(11(9)17)7-8-3-1-5-14-10(8)15-13/h1-6H,7,13H2,(H,14,15).
What are the key properties of 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one?
3-bromo-1-[(2-hydrazinyl-3-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 3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 114761524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).