2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine

C19H17NOS — CID 71502322

IUPAC2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C19H17NOS/c1-21-16-12-10-15(11-13-16)19(18-9-5-6-14-20-18)22-17-7-3-2-4-8-17/h2-14,19H,1H3
InChIKeyBAKYBMYWHFHAPO-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.97
Rot. Bonds5

About 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine

2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine (PubChem CID 71502322) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine
PubChem CID71502322
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C19H17NOS/c1-21-16-12-10-15(11-13-16)19(18-9-5-6-14-20-18)22-17-7-3-2-4-8-17/h2-14,19H,1H3
InChIKeyBAKYBMYWHFHAPO-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine (CID 71502322) is 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine is COc1ccc(C(Sc2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine?
The InChIKey is BAKYBMYWHFHAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-21-16-12-10-15(11-13-16)19(18-9-5-6-14-20-18)22-17-7-3-2-4-8-17/h2-14,19H,1H3.
What are the key properties of 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine?
2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine has a molecular weight of 307.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-phenylsulfanylmethyl]pyridine is sourced from PubChem (CID 71502322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).