acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium

C10H14BrN2O+ — CID 123832191

IUPACacetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium
SMILESCC(=O)[N+](C)(C)c1ncc(Br)cc1C
InChIInChI=1S/C10H14BrN2O/c1-7-5-9(11)6-12-10(7)13(3,4)8(2)14/h5-6H,1-4H3/q+1
InChIKeyMERPMNHBISOCFE-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.27
Rot. Bonds1

About acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium

acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium (PubChem CID 123832191) has the molecular formula C10H14BrN2O+ and a molecular weight of 258.14 g/mol. Its IUPAC name is acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium.

Molecular Properties

Compound Nameacetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium
PubChem CID123832191
Molecular FormulaC10H14BrN2O+
Molecular Weight258.14 g/mol
Exact Mass257.03
IUPAC Nameacetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium
SMILESCC(=O)[N+](C)(C)c1ncc(Br)cc1C
InChIInChI=1S/C10H14BrN2O/c1-7-5-9(11)6-12-10(7)13(3,4)8(2)14/h5-6H,1-4H3/q+1
InChIKeyMERPMNHBISOCFE-UHFFFAOYSA-N
XLogP2.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)-1,1-difluoropropan-2-one
CID 130136097
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
CID 118139687
(5-bromo-3-methyl-2-pyridinyl) propanoate
CID 150932448
5-bromo-N-tert-butyl-N,3-dimethylpyridine-2-carboxamide
CID 70896534
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide
CID 83164553

Frequently Asked Questions

What is the IUPAC name of acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium?
The IUPAC name of acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium (CID 123832191) is acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium.
What is the SMILES notation for acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium?
The canonical SMILES for acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium is CC(=O)[N+](C)(C)c1ncc(Br)cc1C.
What is the InChIKey of acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium?
The InChIKey is MERPMNHBISOCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN2O/c1-7-5-9(11)6-12-10(7)13(3,4)8(2)14/h5-6H,1-4H3/q+1.
What are the key properties of acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium?
acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium has a molecular weight of 258.14 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-(5-bromo-3-methyl-2-pyridinyl)-dimethylazanium is sourced from PubChem (CID 123832191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).