5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile

C10H12N2OS — CID 115489997

IUPAC5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile
SMILESCC(CCO)Sc1ccc(C#N)nc1
InChIInChI=1S/C10H12N2OS/c1-8(4-5-13)14-10-3-2-9(6-11)12-7-10/h2-3,7-8,13H,4-5H2,1H3
InChIKeyLERXHSMYHYJZPC-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.82
Rot. Bonds4

About 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile

5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile (PubChem CID 115489997) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile
PubChem CID115489997
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile
SMILESCC(CCO)Sc1ccc(C#N)nc1
InChIInChI=1S/C10H12N2OS/c1-8(4-5-13)14-10-3-2-9(6-11)12-7-10/h2-3,7-8,13H,4-5H2,1H3
InChIKeyLERXHSMYHYJZPC-UHFFFAOYSA-N
XLogP1.82
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile (CID 115489997) is 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile is CC(CCO)Sc1ccc(C#N)nc1.
What is the InChIKey of 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile?
The InChIKey is LERXHSMYHYJZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8(4-5-13)14-10-3-2-9(6-11)12-7-10/h2-3,7-8,13H,4-5H2,1H3.
What are the key properties of 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile?
5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybutan-2-ylsulfanyl)pyridine-2-carbonitrile is sourced from PubChem (CID 115489997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).