2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile

C14H12N2OS — CID 104590981

IUPAC2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2cccc(O)c2)n1
InChIInChI=1S/C14H12N2OS/c1-9-6-10(2)16-14(13(9)8-15)18-12-5-3-4-11(17)7-12/h3-7,17H,1-2H3
InChIKeyNPGUUGBPSJJMLN-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.43
Rot. Bonds2

About 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile

2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 104590981) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
PubChem CID104590981
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2cccc(O)c2)n1
InChIInChI=1S/C14H12N2OS/c1-9-6-10(2)16-14(13(9)8-15)18-12-5-3-4-11(17)7-12/h3-7,17H,1-2H3
InChIKeyNPGUUGBPSJJMLN-UHFFFAOYSA-N
XLogP3.43
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554315
N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 15743749
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
CID 104590967
2-(3-hydroxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107735200
2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2810516
6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
CID 104576652
2-[2-(2-hydroxyphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 22330960
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
2-(3-hydroxyphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104590888
2-[(3-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 40552199
2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 61370423
4-bromo-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 115382285

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CID 104590981) is 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Sc2cccc(O)c2)n1.
What is the InChIKey of 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is NPGUUGBPSJJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-6-10(2)16-14(13(9)8-15)18-12-5-3-4-11(17)7-12/h3-7,17H,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 104590981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).