3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine

C12H12BrNOS — CID 105368298

IUPAC3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
SMILESCc1cnc(OCCc2cccs2)c(Br)c1
InChIInChI=1S/C12H12BrNOS/c1-9-7-11(13)12(14-8-9)15-5-4-10-3-2-6-16-10/h2-3,6-8H,4-5H2,1H3
InChIKeyRMAJEPVVVFHWQH-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.84
Rot. Bonds4

About 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine

3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine (PubChem CID 105368298) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
PubChem CID105368298
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
SMILESCc1cnc(OCCc2cccs2)c(Br)c1
InChIInChI=1S/C12H12BrNOS/c1-9-7-11(13)12(14-8-9)15-5-4-10-3-2-6-16-10/h2-3,6-8H,4-5H2,1H3
InChIKeyRMAJEPVVVFHWQH-UHFFFAOYSA-N
XLogP3.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-2-(thiophen-2-ylmethoxy)pyridine
CID 105368297
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
CID 54966722
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine
CID 105368392
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
5-bromo-N-ethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 114073380
N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
CID 114217140
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine?
The IUPAC name of 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine (CID 105368298) is 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine is Cc1cnc(OCCc2cccs2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine?
The InChIKey is RMAJEPVVVFHWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-9-7-11(13)12(14-8-9)15-5-4-10-3-2-6-16-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine?
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine has a molecular weight of 298.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine is sourced from PubChem (CID 105368298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).