3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine

C13H11BrClNO — CID 118249390

IUPAC3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine
SMILESCC(Oc1ccccc1Cl)c1cncc(Br)c1
InChIInChI=1S/C13H11BrClNO/c1-9(10-6-11(14)8-16-7-10)17-13-5-3-2-4-12(13)15/h2-9H,1H3
InChIKeyUFAQMNKLSUCIMJ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.64
Rot. Bonds3

About 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine

3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine (PubChem CID 118249390) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine
PubChem CID118249390
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine
SMILESCC(Oc1ccccc1Cl)c1cncc(Br)c1
InChIInChI=1S/C13H11BrClNO/c1-9(10-6-11(14)8-16-7-10)17-13-5-3-2-4-12(13)15/h2-9H,1H3
InChIKeyUFAQMNKLSUCIMJ-UHFFFAOYSA-N
XLogP4.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine 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

3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
CID 141396943
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
6-[1-(2-chlorophenoxy)ethyl]pyridin-2-amine
CID 67261980
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 104531747
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
1-(2-chlorophenoxy)ethanethiol
CID 147588927
2-(5-bromo-3-pyridinyl)-2-(2-chloroanilino)acetonitrile
CID 113469407
(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
CID 114730085
5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105251286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine?
The IUPAC name of 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine (CID 118249390) is 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine?
The canonical SMILES for 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine is CC(Oc1ccccc1Cl)c1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine?
The InChIKey is UFAQMNKLSUCIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9(10-6-11(14)8-16-7-10)17-13-5-3-2-4-12(13)15/h2-9H,1H3.
What are the key properties of 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine?
3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(2-chlorophenoxy)ethyl]pyridine is sourced from PubChem (CID 118249390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).