2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine

C15H14ClNOS — CID 162667474

IUPAC2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine
SMILESC=C(c1ccc(OC)cc1)c1cc(Cl)nc(SC)c1
InChIInChI=1S/C15H14ClNOS/c1-10(11-4-6-13(18-2)7-5-11)12-8-14(16)17-15(9-12)19-3/h4-9H,1H2,2-3H3
InChIKeyDJNCWSBUJKBSRZ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.53
Rot. Bonds4

About 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine

2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine (PubChem CID 162667474) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine
PubChem CID162667474
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine
SMILESC=C(c1ccc(OC)cc1)c1cc(Cl)nc(SC)c1
InChIInChI=1S/C15H14ClNOS/c1-10(11-4-6-13(18-2)7-5-11)12-8-14(16)17-15(9-12)19-3/h4-9H,1H2,2-3H3
InChIKeyDJNCWSBUJKBSRZ-UHFFFAOYSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.53
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-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine?
The IUPAC name of 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine (CID 162667474) is 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine.
What is the SMILES notation for 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine?
The canonical SMILES for 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine is C=C(c1ccc(OC)cc1)c1cc(Cl)nc(SC)c1.
What is the InChIKey of 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine?
The InChIKey is DJNCWSBUJKBSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-10(11-4-6-13(18-2)7-5-11)12-8-14(16)17-15(9-12)19-3/h4-9H,1H2,2-3H3.
What are the key properties of 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine?
2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine has a molecular weight of 291.80 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyridine is sourced from PubChem (CID 162667474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).