5-(bromomethyl)-N-methylpyridine-2-carboxamide

C8H9BrN2O — CID 166088325

IUPAC5-(bromomethyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CBr)cn1
InChIInChI=1S/C8H9BrN2O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyJVLBNNDSQUSSFC-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.34
Rot. Bonds2

About 5-(bromomethyl)-N-methylpyridine-2-carboxamide

5-(bromomethyl)-N-methylpyridine-2-carboxamide (PubChem CID 166088325) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(bromomethyl)-N-methylpyridine-2-carboxamide
PubChem CID166088325
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-(bromomethyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CBr)cn1
InChIInChI=1S/C8H9BrN2O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyJVLBNNDSQUSSFC-UHFFFAOYSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-N-methylpyridine-2-carboxamide 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-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-N-methylpyridine-2-carboxamide
CID 171489994
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
CID 119086981
3-[6-(methylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978782
5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide
CID 171490318
N-cyclopropyl-5-ethylpyridine-2-carboxamide;ethane
CID 166088952
[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone
CID 23028700
2-bromoacetaldehyde;N,5-dimethylpyrazine-2-carboxamide
CID 144521390
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
5-(azetidin-3-yl)-N-methylpyridine-2-carboxamide
CID 171487958
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(bromomethyl)-N-methylpyridine-2-carboxamide (CID 166088325) is 5-(bromomethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(bromomethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(bromomethyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is JVLBNNDSQUSSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4H2,1H3,(H,10,12).
What are the key properties of 5-(bromomethyl)-N-methylpyridine-2-carboxamide?
5-(bromomethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 229.08 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166088325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).