3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine

C23H19NOS — CID 45270243

IUPAC3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccc3ccccc3c2)c2cccnc2)cc1
InChIInChI=1S/C23H19NOS/c1-25-21-11-8-18(9-12-21)23(20-7-4-14-24-16-20)26-22-13-10-17-5-2-3-6-19(17)15-22/h2-16,23H,1H3
InChIKeyJGVRYGGYUBWTQV-UHFFFAOYSA-N
MW357.48 g/mol
LogP6.13
Rot. Bonds5

About 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine

3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine (PubChem CID 45270243) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine
PubChem CID45270243
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccc3ccccc3c2)c2cccnc2)cc1
InChIInChI=1S/C23H19NOS/c1-25-21-11-8-18(9-12-21)23(20-7-4-14-24-16-20)26-22-13-10-17-5-2-3-6-19(17)15-22/h2-16,23H,1H3
InChIKeyJGVRYGGYUBWTQV-UHFFFAOYSA-N
XLogP6.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine?
The IUPAC name of 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine (CID 45270243) is 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine.
What is the SMILES notation for 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine?
The canonical SMILES for 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine is COc1ccc(C(Sc2ccc3ccccc3c2)c2cccnc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine?
The InChIKey is JGVRYGGYUBWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c1-25-21-11-8-18(9-12-21)23(20-7-4-14-24-16-20)26-22-13-10-17-5-2-3-6-19(17)15-22/h2-16,23H,1H3.
What are the key properties of 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine?
3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine has a molecular weight of 357.48 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine is sourced from PubChem (CID 45270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).