3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile

C13H10N2OS — CID 62894652

IUPAC3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSc1ccc(O)cc1
InChIInChI=1S/C13H10N2OS/c14-8-13-10(2-1-7-15-13)9-17-12-5-3-11(16)4-6-12/h1-7,16H,9H2
InChIKeyFHLJDKJGZGOGLZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.95
Rot. Bonds3

About 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile

3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 62894652) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID62894652
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSc1ccc(O)cc1
InChIInChI=1S/C13H10N2OS/c14-8-13-10(2-1-7-15-13)9-17-12-5-3-11(16)4-6-12/h1-7,16H,9H2
InChIKeyFHLJDKJGZGOGLZ-UHFFFAOYSA-N
XLogP2.95
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile (CID 62894652) is 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile is N#Cc1ncccc1CSc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is FHLJDKJGZGOGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-8-13-10(2-1-7-15-13)9-17-12-5-3-11(16)4-6-12/h1-7,16H,9H2.
What are the key properties of 3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile?
3-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile has a molecular weight of 242.30 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-[(4-hydroxyphenyl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).