methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate

C9H11NO2S — CID 102544528

IUPACmethyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(SC)c(C)c1
InChIInChI=1S/C9H11NO2S/c1-6-4-7(9(11)12-2)5-10-8(6)13-3/h4-5H,1-3H3
InChIKeySEZPDOJCAHABNO-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.90
Rot. Bonds2

About methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate

methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate (PubChem CID 102544528) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
PubChem CID102544528
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(SC)c(C)c1
InChIInChI=1S/C9H11NO2S/c1-6-4-7(9(11)12-2)5-10-8(6)13-3/h4-5H,1-3H3
InChIKeySEZPDOJCAHABNO-UHFFFAOYSA-N
XLogP1.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
CID 102544682
methyl 4-(4-methoxycarbonyl-2,6-dimethylphenyl)sulfanyl-3,5-dimethylbenzoate
CID 144994456
ethyl 5-cyano-6-methylsulfanylpyridine-3-carboxylate
CID 54004334
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 123135144
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate (CID 102544528) is methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate is COC(=O)c1cnc(SC)c(C)c1.
What is the InChIKey of methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate?
The InChIKey is SEZPDOJCAHABNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6-4-7(9(11)12-2)5-10-8(6)13-3/h4-5H,1-3H3.
What are the key properties of methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate?
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 102544528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).