N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide

C9H11BrN2O — CID 90008913

IUPACN-[2-(4-bromo-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(Br)ccn1
InChIInChI=1S/C9H11BrN2O/c1-7(13)11-5-3-9-6-8(10)2-4-12-9/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyKMUFBAWRAFSODO-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.52
Rot. Bonds3

About N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide

N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide (PubChem CID 90008913) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-pyridinyl)ethyl]acetamide
PubChem CID90008913
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-[2-(4-bromo-2-pyridinyl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(Br)ccn1
InChIInChI=1S/C9H11BrN2O/c1-7(13)11-5-3-9-6-8(10)2-4-12-9/h2,4,6H,3,5H2,1H3,(H,11,13)
InChIKeyKMUFBAWRAFSODO-UHFFFAOYSA-N
XLogP1.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide?
The IUPAC name of N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide (CID 90008913) is N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide is CC(=O)NCCc1cc(Br)ccn1.
What is the InChIKey of N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide?
The InChIKey is KMUFBAWRAFSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-7(13)11-5-3-9-6-8(10)2-4-12-9/h2,4,6H,3,5H2,1H3,(H,11,13).
What are the key properties of N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide?
N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide has a molecular weight of 243.10 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 90008913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).