3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol

C12H11NO2S — CID 104590976

IUPAC3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol
SMILESCOc1cccnc1Sc1cccc(O)c1
InChIInChI=1S/C12H11NO2S/c1-15-11-6-3-7-13-12(11)16-10-5-2-4-9(14)8-10/h2-8,14H,1H3
InChIKeyZPTUMWQAIVQMSA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.95
Rot. Bonds3

About 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol

3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol (PubChem CID 104590976) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol.

Molecular Properties

Compound Name3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol
PubChem CID104590976
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol
SMILESCOc1cccnc1Sc1cccc(O)c1
InChIInChI=1S/C12H11NO2S/c1-15-11-6-3-7-13-12(11)16-10-5-2-4-9(14)8-10/h2-8,14H,1H3
InChIKeyZPTUMWQAIVQMSA-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromo-2-pyridinyl)sulfanyl]phenol
CID 104591047
3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
CID 104590879
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
3-(4-methylphenyl)sulfanylphenol
CID 20780501
2-(3-hydroxyphenyl)sulfanyl-3-nitropyridine-4-carbonitrile
CID 104576647
5-[(3-hydroxyphenyl)sulfanylmethyl]-2-methoxybenzonitrile
CID 104590579
2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 104590981
bis(3-methylsulfanylphenol);zirconium
CID 174409712
2-(3-bromophenyl)sulfanyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 15895870
N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide
CID 30376532
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methoxypyridine
CID 501245
6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol?
The IUPAC name of 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol (CID 104590976) is 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol.
What is the SMILES notation for 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol?
The canonical SMILES for 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol is COc1cccnc1Sc1cccc(O)c1.
What is the InChIKey of 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol?
The InChIKey is ZPTUMWQAIVQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-15-11-6-3-7-13-12(11)16-10-5-2-4-9(14)8-10/h2-8,14H,1H3.
What are the key properties of 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol?
3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol has a molecular weight of 233.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-pyridinyl)sulfanyl]phenol is sourced from PubChem (CID 104590976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).