ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate

C14H13NO3S — CID 62028773

IUPACethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2ccccc2O)nc1
InChIInChI=1S/C14H13NO3S/c1-2-18-14(17)10-7-8-13(15-9-10)19-12-6-4-3-5-11(12)16/h3-9,16H,2H2,1H3
InChIKeyACPDKLFQDPULOF-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.12
Rot. Bonds4

About ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate

ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate (PubChem CID 62028773) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
PubChem CID62028773
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Nameethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(Sc2ccccc2O)nc1
InChIInChI=1S/C14H13NO3S/c1-2-18-14(17)10-7-8-13(15-9-10)19-12-6-4-3-5-11(12)16/h3-9,16H,2H2,1H3
InChIKeyACPDKLFQDPULOF-UHFFFAOYSA-N
XLogP3.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
ethyl 6-(1-benzylimidazol-2-yl)sulfanylpyridine-3-carboxylate
CID 31536166
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
ethyl 6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate
CID 31536327
ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
ethyl 4-amino-3-pyridin-2-ylsulfanylbenzoate
CID 82795766
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
CID 103613536
ethyl 6-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-3-carboxylate
CID 136919468
ethyl 6-[1-[2-(2-bromophenyl)ethyl]imidazol-2-yl]sulfanylpyridine-3-carboxylate
CID 102184592

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate (CID 62028773) is ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate is CCOC(=O)c1ccc(Sc2ccccc2O)nc1.
What is the InChIKey of ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate?
The InChIKey is ACPDKLFQDPULOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-2-18-14(17)10-7-8-13(15-9-10)19-12-6-4-3-5-11(12)16/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate?
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 62028773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).