N-(3-bromo-5-methyl-2-pyridinyl)acetamide

C8H9BrN2O — CID 15179564

IUPACN-(3-bromo-5-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(C)cc1Br
InChIInChI=1S/C8H9BrN2O/c1-5-3-7(9)8(10-4-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
InChIKeyBJABQGWWODTQNB-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.11
Rot. Bonds1

About N-(3-bromo-5-methyl-2-pyridinyl)acetamide

N-(3-bromo-5-methyl-2-pyridinyl)acetamide (PubChem CID 15179564) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)acetamide
PubChem CID15179564
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(C)cc1Br
InChIInChI=1S/C8H9BrN2O/c1-5-3-7(9)8(10-4-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
InChIKeyBJABQGWWODTQNB-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)acetamide (CID 15179564) is N-(3-bromo-5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)acetamide is CC(=O)Nc1ncc(C)cc1Br.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)acetamide?
The InChIKey is BJABQGWWODTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-3-7(9)8(10-4-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)acetamide?
N-(3-bromo-5-methyl-2-pyridinyl)acetamide has a molecular weight of 229.08 g/mol, XLogP of 2.11, 1 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-2-pyridinyl)acetamide is sourced from PubChem (CID 15179564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).