methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate

C14H13NO3S — CID 104591060

IUPACmethyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Sc2cccc(O)c2)nc1C
InChIInChI=1S/C14H13NO3S/c1-9-12(14(17)18-2)6-7-13(15-9)19-11-5-3-4-10(16)8-11/h3-8,16H,1-2H3
InChIKeySZMNUJWHMQZQQY-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.03
Rot. Bonds3

About methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate

methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate (PubChem CID 104591060) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate
PubChem CID104591060
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Namemethyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Sc2cccc(O)c2)nc1C
InChIInChI=1S/C14H13NO3S/c1-9-12(14(17)18-2)6-7-13(15-9)19-11-5-3-4-10(16)8-11/h3-8,16H,1-2H3
InChIKeySZMNUJWHMQZQQY-UHFFFAOYSA-N
XLogP3.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-formyl-6-methyl-2-pyridinyl)sulfanyl]-2-methylbenzoate
CID 58835187
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]phenol
CID 114448832
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
3-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]phenol
CID 104591016
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
3-(4-methylphenyl)sulfanylphenol
CID 20780501
methyl 6-(3-bromophenyl)sulfanylpyrazine-2-carboxylate
CID 66450002
5-[2-amino-6-(3-hydroxyphenyl)sulfanylpyrimidin-4-yl]-2,4-dimethylbenzoic acid
CID 141218811
methyl 2-methyl-6-(N-methylanilino)pyridine-3-carboxylate
CID 102546113
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate (CID 104591060) is methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(Sc2cccc(O)c2)nc1C.
What is the InChIKey of methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate?
The InChIKey is SZMNUJWHMQZQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9-12(14(17)18-2)6-7-13(15-9)19-11-5-3-4-10(16)8-11/h3-8,16H,1-2H3.
What are the key properties of methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate?
methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 104591060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).