2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine

C11H14ClNOS — CID 103847343

IUPAC2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine
SMILESCC1OCCC1SCc1cccnc1Cl
InChIInChI=1S/C11H14ClNOS/c1-8-10(4-6-14-8)15-7-9-3-2-5-13-11(9)12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyVSIZPWXJPXQZHB-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine

2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine (PubChem CID 103847343) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine
PubChem CID103847343
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine
SMILESCC1OCCC1SCc1cccnc1Cl
InChIInChI=1S/C11H14ClNOS/c1-8-10(4-6-14-8)15-7-9-3-2-5-13-11(9)12/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyVSIZPWXJPXQZHB-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 ≤ 500243.76
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine (CID 103847343) is 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine is CC1OCCC1SCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine?
The InChIKey is VSIZPWXJPXQZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8-10(4-6-14-8)15-7-9-3-2-5-13-11(9)12/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine?
2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine has a molecular weight of 243.76 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 2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 103847343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).