3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine

C19H21Cl2NOS — CID 54199567

IUPAC3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine
SMILESCSc1ccc(CCc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H21Cl2NOS/c1-24-19-9-7-13(10-18(19)23-14-4-2-3-5-14)6-8-15-16(20)11-22-12-17(15)21/h7,9-12,14H,2-6,8H2,1H3
InChIKeyMAZDVLFXJQWJND-UHFFFAOYSA-N
MW382.36 g/mol
LogP6.22
Rot. Bonds6

About 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine

3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine (PubChem CID 54199567) has the molecular formula C19H21Cl2NOS and a molecular weight of 382.36 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine
PubChem CID54199567
Molecular FormulaC19H21Cl2NOS
Molecular Weight382.36 g/mol
Exact Mass381.07
IUPAC Name3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine
SMILESCSc1ccc(CCc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H21Cl2NOS/c1-24-19-9-7-13(10-18(19)23-14-4-2-3-5-14)6-8-15-16(20)11-22-12-17(15)21/h7,9-12,14H,2-6,8H2,1H3
InChIKeyMAZDVLFXJQWJND-UHFFFAOYSA-N
XLogP6.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.36
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine?
The IUPAC name of 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine (CID 54199567) is 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine.
What is the SMILES notation for 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine?
The canonical SMILES for 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine is CSc1ccc(CCc2c(Cl)cncc2Cl)cc1OC1CCCC1.
What is the InChIKey of 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine?
The InChIKey is MAZDVLFXJQWJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NOS/c1-24-19-9-7-13(10-18(19)23-14-4-2-3-5-14)6-8-15-16(20)11-22-12-17(15)21/h7,9-12,14H,2-6,8H2,1H3.
What are the key properties of 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine?
3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine has a molecular weight of 382.36 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-(3-cyclopentyloxy-4-methylsulfanylphenyl)ethyl]pyridine is sourced from PubChem (CID 54199567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).