methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate

C15H15NO3S — CID 54413564

IUPACmethyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(SC)c1-c1ccc(OC)cc1
InChIInChI=1S/C15H15NO3S/c1-18-11-6-4-10(5-7-11)13-12(15(17)19-2)8-9-16-14(13)20-3/h4-9H,1-3H3
InChIKeyVVUWEXBVDSDFNR-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.27
Rot. Bonds4

About methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate

methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate (PubChem CID 54413564) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
PubChem CID54413564
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Namemethyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(SC)c1-c1ccc(OC)cc1
InChIInChI=1S/C15H15NO3S/c1-18-11-6-4-10(5-7-11)13-12(15(17)19-2)8-9-16-14(13)20-3/h4-9H,1-3H3
InChIKeyVVUWEXBVDSDFNR-UHFFFAOYSA-N
XLogP3.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 2-chloro-4-methylsulfanylpyrimidine-5-carboxylate
CID 89398355
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
methyl 5,6-bis(4-methoxyphenyl)-4-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylate
CID 101432782
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311220
N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
CID 53355224

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate (CID 54413564) is methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate is COC(=O)c1ccnc(SC)c1-c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate?
The InChIKey is VVUWEXBVDSDFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-18-11-6-4-10(5-7-11)13-12(15(17)19-2)8-9-16-14(13)20-3/h4-9H,1-3H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate?
methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-2-methylsulfanylpyridine-4-carboxylate is sourced from PubChem (CID 54413564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).