2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine

C18H16N2OS — CID 71503004

IUPAC2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine
SMILESCOc1ccc(C(Sc2ccccn2)c2cccnc2)cc1
InChIInChI=1S/C18H16N2OS/c1-21-16-9-7-14(8-10-16)18(15-5-4-11-19-13-15)22-17-6-2-3-12-20-17/h2-13,18H,1H3
InChIKeyGWDANHIKIHXHPQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.37
Rot. Bonds5

About 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine

2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine (PubChem CID 71503004) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine
PubChem CID71503004
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine
SMILESCOc1ccc(C(Sc2ccccn2)c2cccnc2)cc1
InChIInChI=1S/C18H16N2OS/c1-21-16-9-7-14(8-10-16)18(15-5-4-11-19-13-15)22-17-6-2-3-12-20-17/h2-13,18H,1H3
InChIKeyGWDANHIKIHXHPQ-UHFFFAOYSA-N
XLogP4.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-Dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 3227972
{4-Methoxy-2-[(2-pyridinylthio)methyl]benzylidene}malononitrile
CID 873338
N-[(4-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341255
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
3-(3,4-Dimethoxyphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 3227970
4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(4-Methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11673933
2-(2-Methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662929
4-(4-Methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
3-(3-Methoxyphenyl)-6-((pyridin-2-ylmethyl)thio)pyridazine
CID 7162189

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine?
The IUPAC name of 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine (CID 71503004) is 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine is COc1ccc(C(Sc2ccccn2)c2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine?
The InChIKey is GWDANHIKIHXHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-21-16-9-7-14(8-10-16)18(15-5-4-11-19-13-15)22-17-6-2-3-12-20-17/h2-13,18H,1H3.
What are the key properties of 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine?
2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine has a molecular weight of 308.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-pyridin-3-ylmethyl]sulfanylpyridine is sourced from PubChem (CID 71503004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).