(4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium

C7H10BrN2O2+ — CID 176681290

IUPAC(4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium
SMILESCO[NH2+]c1c(Br)ccn(C)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-10-4-3-5(8)6(7(10)11)9-12-2/h3-4,9H,1-2H3/p+1
InChIKeyFSJAAAPRTJPGII-UHFFFAOYSA-O
MW234.07 g/mol
LogP-0.10
Rot. Bonds2

About (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium

(4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium (PubChem CID 176681290) has the molecular formula C7H10BrN2O2+ and a molecular weight of 234.07 g/mol. Its IUPAC name is (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium.

Molecular Properties

Compound Name(4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium
PubChem CID176681290
Molecular FormulaC7H10BrN2O2+
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name(4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium
SMILESCO[NH2+]c1c(Br)ccn(C)c1=O
InChIInChI=1S/C7H9BrN2O2/c1-10-4-3-5(8)6(7(10)11)9-12-2/h3-4,9H,1-2H3/p+1
InChIKeyFSJAAAPRTJPGII-UHFFFAOYSA-O
XLogP-0.10
TPSA47.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methylisoquinolin-1-one
CID 82388860
4-bromo-3-(4-fluoro-2,6-dimethylphenoxy)-1-methylpyridin-2-one
CID 155247610
4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one
CID 172810293
4-methoxy-1,3-dimethylpyridin-2-one
CID 15144235
5-bromo-8-fluoro-2-methylisoquinolin-1-one
CID 119081606
8-amino-5-bromo-2-methylisoquinolin-1-one
CID 67254174
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
6-bromo-7,8-difluoro-2-methylisoquinolin-1-one
CID 170048700
3-ethyl-4-methoxy-1-methylpyridin-2-one
CID 167006179
3-acetyl-4-hydroxy-1-methylpyridin-2-one
CID 130031944
methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
CID 154671680
6-bromo-7-methoxy-1-methylquinolin-4-one
CID 170985968

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium?
The IUPAC name of (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium (CID 176681290) is (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium.
What is the SMILES notation for (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium?
The canonical SMILES for (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium is CO[NH2+]c1c(Br)ccn(C)c1=O.
What is the InChIKey of (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium?
The InChIKey is FSJAAAPRTJPGII-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9BrN2O2/c1-10-4-3-5(8)6(7(10)11)9-12-2/h3-4,9H,1-2H3/p+1.
What are the key properties of (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium?
(4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium has a molecular weight of 234.07 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methyl-2-oxo-3-pyridinyl)-methoxyazanium is sourced from PubChem (CID 176681290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).