3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine

C20H22ClNOS — CID 67401232

IUPAC3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine
SMILESCOc1nc(/C(=C/C2CCCC2)c2ccc(SC)cc2)ccc1Cl
InChIInChI=1S/C20H22ClNOS/c1-23-20-18(21)11-12-19(22-20)17(13-14-5-3-4-6-14)15-7-9-16(24-2)10-8-15/h7-14H,3-6H2,1-2H3/b17-13+
InChIKeyATHBTFSHLKSIAG-GHRIWEEISA-N
MW359.92 g/mol
LogP6.09
Rot. Bonds5

About 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine

3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine (PubChem CID 67401232) has the molecular formula C20H22ClNOS and a molecular weight of 359.92 g/mol. Its IUPAC name is 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine
PubChem CID67401232
Molecular FormulaC20H22ClNOS
Molecular Weight359.92 g/mol
Exact Mass359.11
IUPAC Name3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine
SMILESCOc1nc(/C(=C/C2CCCC2)c2ccc(SC)cc2)ccc1Cl
InChIInChI=1S/C20H22ClNOS/c1-23-20-18(21)11-12-19(22-20)17(13-14-5-3-4-6-14)15-7-9-16(24-2)10-8-15/h7-14H,3-6H2,1-2H3/b17-13+
InChIKeyATHBTFSHLKSIAG-GHRIWEEISA-N
XLogP6.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.92
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxy-3-methylpyridine
CID 67396351
1-[(3R)-3-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-(4-cyclopropylsulfanylphenyl)ethenyl]pyrrolidin-1-yl]propan-1-one
CID 67398853
(5R)-5-[(Z)-2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67399197
(5R)-5-[2-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-(4-methylsulfanylphenyl)ethenyl]pyrrolidin-2-one
CID 67400669
(5R)-5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398498
1-[3-[2-(5-chloro-6-methoxy-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)ethenyl]pyrrolidin-1-yl]propan-1-one
CID 77278102
6-[(Z)-1-(3-chloro-4-methylsulfanylphenyl)-2-[(2R,3R,8S)-2,3-diphenyl-1,4-dioxaspiro[4.4]nonan-8-yl]ethenyl]-2-methoxy-3-methylpyridine
CID 67396879
tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
CID 67396126
6-[(E)-3-bromo-1-(4-tert-butylphenyl)prop-1-enyl]-3-chloro-2-methoxypyridine
CID 58452814
6-[(Z)-3-cyclopentyl-1-(4-cyclopropylsulfanylphenyl)prop-1-enyl]-2-methoxy-3-methylpyridine
CID 67399557
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine?
The IUPAC name of 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine (CID 67401232) is 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine.
What is the SMILES notation for 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine?
The canonical SMILES for 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine is COc1nc(/C(=C/C2CCCC2)c2ccc(SC)cc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine?
The InChIKey is ATHBTFSHLKSIAG-GHRIWEEISA-N. The full InChI is InChI=1S/C20H22ClNOS/c1-23-20-18(21)11-12-19(22-20)17(13-14-5-3-4-6-14)15-7-9-16(24-2)10-8-15/h7-14H,3-6H2,1-2H3/b17-13+.
What are the key properties of 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine?
3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine has a molecular weight of 359.92 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine is sourced from PubChem (CID 67401232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).