6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile

C12H8N2OS — CID 104576652

IUPAC6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2cccc(O)c2)nc1
InChIInChI=1S/C12H8N2OS/c13-7-9-4-5-12(14-8-9)16-11-3-1-2-10(15)6-11/h1-6,8,15H
InChIKeyNXROWAIWMVOLQH-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.81
Rot. Bonds2

About 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile

6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 104576652) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
PubChem CID104576652
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
SMILESN#Cc1ccc(Sc2cccc(O)c2)nc1
InChIInChI=1S/C12H8N2OS/c13-7-9-4-5-12(14-8-9)16-11-3-1-2-10(15)6-11/h1-6,8,15H
InChIKeyNXROWAIWMVOLQH-UHFFFAOYSA-N
XLogP2.81
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590977
3-bromo-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 113430122
3-pyridin-2-ylsulfanylbenzonitrile
CID 102335720
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
CID 104590924
6-(2-bromophenyl)sulfanylpyridine-3-carbonitrile
CID 43236174
(5-cyano-2-pyridinyl) thiohypochlorite
CID 143667938
2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 104590981
6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
CID 47364170
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
CID 104590967
2-chloro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590955
5-[(5-cyano-2-pyridinyl)sulfanyl]furan-2-carboxylic acid
CID 63942215
6-(oxan-4-ylsulfanyl)pyridine-3-carbonitrile
CID 62996428

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile (CID 104576652) is 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile is N#Cc1ccc(Sc2cccc(O)c2)nc1.
What is the InChIKey of 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is NXROWAIWMVOLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c13-7-9-4-5-12(14-8-9)16-11-3-1-2-10(15)6-11/h1-6,8,15H.
What are the key properties of 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile?
6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 228.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 104576652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).