5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine

C10H11ClFNOS — CID 106495322

IUPAC5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
SMILESFc1cc(Cl)cnc1SCC1CCCO1
InChIInChI=1S/C10H11ClFNOS/c11-7-4-9(12)10(13-5-7)15-6-8-2-1-3-14-8/h4-5,8H,1-3,6H2
InChIKeyJMJVXXZEBGXIRY-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.15
Rot. Bonds3

About 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine

5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine (PubChem CID 106495322) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
PubChem CID106495322
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
SMILESFc1cc(Cl)cnc1SCC1CCCO1
InChIInChI=1S/C10H11ClFNOS/c11-7-4-9(12)10(13-5-7)15-6-8-2-1-3-14-8/h4-5,8H,1-3,6H2
InChIKeyJMJVXXZEBGXIRY-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494885
5-chloro-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 79728314
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
5-methyl-6-(oxolan-2-ylmethylsulfanyl)pyridine-3-carbaldehyde
CID 106496473
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
4-chloro-5-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzene-1,3-diamine
CID 106494052
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939
6-chloro-2-(oxolan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 106493760
6-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfanyl]thieno[3,2-d]pyrimidine
CID 8642556
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine (CID 106495322) is 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine is Fc1cc(Cl)cnc1SCC1CCCO1.
What is the InChIKey of 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine?
The InChIKey is JMJVXXZEBGXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c11-7-4-9(12)10(13-5-7)15-6-8-2-1-3-14-8/h4-5,8H,1-3,6H2.
What are the key properties of 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine?
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine has a molecular weight of 247.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine is sourced from PubChem (CID 106495322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).