3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine

C19H16ClNOS — CID 45271062

IUPAC3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
SMILESCOc1ccc(C(Sc2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H16ClNOS/c1-22-17-8-4-14(5-9-17)19(15-3-2-12-21-13-15)23-18-10-6-16(20)7-11-18/h2-13,19H,1H3
InChIKeySFODNIWQXLDPLG-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.63
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine

3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine (PubChem CID 45271062) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
PubChem CID45271062
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC Name3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
SMILESCOc1ccc(C(Sc2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H16ClNOS/c1-22-17-8-4-14(5-9-17)19(15-3-2-12-21-13-15)23-18-10-6-16(20)7-11-18/h2-13,19H,1H3
InChIKeySFODNIWQXLDPLG-UHFFFAOYSA-N
XLogP5.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
The IUPAC name of 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine (CID 45271062) is 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
The canonical SMILES for 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine is COc1ccc(C(Sc2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
The InChIKey is SFODNIWQXLDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c1-22-17-8-4-14(5-9-17)19(15-3-2-12-21-13-15)23-18-10-6-16(20)7-11-18/h2-13,19H,1H3.
What are the key properties of 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine?
3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine has a molecular weight of 341.86 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine is sourced from PubChem (CID 45271062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).