N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide

C8H8BrClN2O — CID 15087754

IUPACN-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
SMILESCc1cncc(Br)c1NC(=O)CCl
InChIInChI=1S/C8H8BrClN2O/c1-5-3-11-4-6(9)8(5)12-7(13)2-10/h3-4H,2H2,1H3,(H,11,12,13)
InChIKeyDONDRMCLBXULDJ-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.33
Rot. Bonds2

About N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide

N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide (PubChem CID 15087754) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
PubChem CID15087754
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC NameN-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
SMILESCc1cncc(Br)c1NC(=O)CCl
InChIInChI=1S/C8H8BrClN2O/c1-5-3-11-4-6(9)8(5)12-7(13)2-10/h3-4H,2H2,1H3,(H,11,12,13)
InChIKeyDONDRMCLBXULDJ-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide 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

2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
N-(6-bromopyrazin-2-yl)-2-chloroacetamide
CID 130299627
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(3-bromo-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)-2-chloroacetamide
CID 15087760
2-chloro-N-(5-methylpyrimidin-2-yl)acetamide
CID 167977680
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
N-(3-acetyl-2,6-dimethylphenyl)-2-chloroacetamide
CID 14722532
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
N-(4-bromothiophen-3-yl)-2-chloroacetamide
CID 166409195
2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
2-chloro-N-(5,6-dimethylpyridazin-3-yl)acetamide
CID 126987932

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide?
The IUPAC name of N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide (CID 15087754) is N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide.
What is the SMILES notation for N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide?
The canonical SMILES for N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide is Cc1cncc(Br)c1NC(=O)CCl.
What is the InChIKey of N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide?
The InChIKey is DONDRMCLBXULDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c1-5-3-11-4-6(9)8(5)12-7(13)2-10/h3-4H,2H2,1H3,(H,11,12,13).
What are the key properties of N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide?
N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide has a molecular weight of 263.52 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide is sourced from PubChem (CID 15087754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).