3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine

C10H12BrNOS — CID 103678592

IUPAC3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
SMILESBrc1cccnc1SCC1CCCO1
InChIInChI=1S/C10H12BrNOS/c11-9-4-1-5-12-10(9)14-7-8-3-2-6-13-8/h1,4-5,8H,2-3,6-7H2
InChIKeyWJEDVTKHDZIIDH-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.12
Rot. Bonds3

About 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine

3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine (PubChem CID 103678592) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
PubChem CID103678592
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
SMILESBrc1cccnc1SCC1CCCO1
InChIInChI=1S/C10H12BrNOS/c11-9-4-1-5-12-10(9)14-7-8-3-2-6-13-8/h1,4-5,8H,2-3,6-7H2
InChIKeyWJEDVTKHDZIIDH-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-oxolan-2-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 40605283
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
2-(oxan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 43241352
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
6-bromo-8-(oxolan-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine
CID 106494873
3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile
CID 106494343
5-iodo-4-(oxolan-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
CID 106495323
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine (CID 103678592) is 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine is Brc1cccnc1SCC1CCCO1.
What is the InChIKey of 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine?
The InChIKey is WJEDVTKHDZIIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-9-4-1-5-12-10(9)14-7-8-3-2-6-13-8/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine?
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine has a molecular weight of 274.18 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 103678592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).