6-(1-hydroxyethyl)pyridine-3-carbonitrile

C8H8N2O — CID 45085906

IUPAC6-(1-hydroxyethyl)pyridine-3-carbonitrile
SMILESCC(O)c1ccc(C#N)cn1
InChIInChI=1S/C8H8N2O/c1-6(11)8-3-2-7(4-9)5-10-8/h2-3,5-6,11H,1H3
InChIKeyYPZJKSJYEHGXTL-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.01
Rot. Bonds1

About 6-(1-hydroxyethyl)pyridine-3-carbonitrile

6-(1-hydroxyethyl)pyridine-3-carbonitrile (PubChem CID 45085906) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-hydroxyethyl)pyridine-3-carbonitrile
PubChem CID45085906
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-(1-hydroxyethyl)pyridine-3-carbonitrile
SMILESCC(O)c1ccc(C#N)cn1
InChIInChI=1S/C8H8N2O/c1-6(11)8-3-2-7(4-9)5-10-8/h2-3,5-6,11H,1H3
InChIKeyYPZJKSJYEHGXTL-UHFFFAOYSA-N
XLogP1.01
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-hydroxyethyl)pyridine-3-carbonitrile (CID 45085906) is 6-(1-hydroxyethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-hydroxyethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-hydroxyethyl)pyridine-3-carbonitrile is CC(O)c1ccc(C#N)cn1.
What is the InChIKey of 6-(1-hydroxyethyl)pyridine-3-carbonitrile?
The InChIKey is YPZJKSJYEHGXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6(11)8-3-2-7(4-9)5-10-8/h2-3,5-6,11H,1H3.
What are the key properties of 6-(1-hydroxyethyl)pyridine-3-carbonitrile?
6-(1-hydroxyethyl)pyridine-3-carbonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 45085906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).