hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate

C9H12BrN3O3 — CID 83133573

IUPAChydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCc1cc(Br)cn(CCC(=O)ONN)c1=O
InChIInChI=1S/C9H12BrN3O3/c1-6-4-7(10)5-13(9(6)15)3-2-8(14)16-12-11/h4-5,12H,2-3,11H2,1H3
InChIKeyBZGABOOLQBDVCM-UHFFFAOYSA-N
MW290.12 g/mol
LogP0.23
Rot. Bonds4

About hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate

hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate (PubChem CID 83133573) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
PubChem CID83133573
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Namehydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCc1cc(Br)cn(CCC(=O)ONN)c1=O
InChIInChI=1S/C9H12BrN3O3/c1-6-4-7(10)5-13(9(6)15)3-2-8(14)16-12-11/h4-5,12H,2-3,11H2,1H3
InChIKeyBZGABOOLQBDVCM-UHFFFAOYSA-N
XLogP0.23
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 83133302
5-bromo-3-methyl-1-(3-methylbut-3-enyl)pyridin-2-one
CID 114476431
ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
CID 103484823
4-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-methylbutanamide
CID 83133907
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073
5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
5-bromo-1-[2-(ethylamino)ethyl]-3-methylpyridin-2-one
CID 83130817
5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one
CID 106455788
hydrazinyl 3-(2-oxo-3-propylimidazol-1-yl)propanoate
CID 80582931
1-[(2S)-3-amino-2-hydroxypropyl]-5-bromo-3-methylpyridin-2-one
CID 130492576
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 83132882
methyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-2-hydroxy-2-methylpropanoate
CID 83131109

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate (CID 83133573) is hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate is Cc1cc(Br)cn(CCC(=O)ONN)c1=O.
What is the InChIKey of hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate?
The InChIKey is BZGABOOLQBDVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c1-6-4-7(10)5-13(9(6)15)3-2-8(14)16-12-11/h4-5,12H,2-3,11H2,1H3.
What are the key properties of hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate?
hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate has a molecular weight of 290.12 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 83133573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).