3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile

C9H10N2OS — CID 62893759

IUPAC3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSCCO
InChIInChI=1S/C9H10N2OS/c10-6-9-8(2-1-3-11-9)7-13-5-4-12/h1-3,12H,4-5,7H2
InChIKeyDRZDHYLLZPWNGD-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.18
Rot. Bonds4

About 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile

3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile (PubChem CID 62893759) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile
PubChem CID62893759
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CSCCO
InChIInChI=1S/C9H10N2OS/c10-6-9-8(2-1-3-11-9)7-13-5-4-12/h1-3,12H,4-5,7H2
InChIKeyDRZDHYLLZPWNGD-UHFFFAOYSA-N
XLogP1.18
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile (CID 62893759) is 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile is N#Cc1ncccc1CSCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile?
The InChIKey is DRZDHYLLZPWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-6-9-8(2-1-3-11-9)7-13-5-4-12/h1-3,12H,4-5,7H2.
What are the key properties of 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile?
3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 62893759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).