5-(1-hydroxyethyl)pyridine-2-carbonitrile

C8H8N2O — CID 22038353

IUPAC5-(1-hydroxyethyl)pyridine-2-carbonitrile
SMILESCC(O)c1ccc(C#N)nc1
InChIInChI=1S/C8H8N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5-6,11H,1H3
InChIKeyFAJCHKLYSXVKRC-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.01
Rot. Bonds1

About 5-(1-hydroxyethyl)pyridine-2-carbonitrile

5-(1-hydroxyethyl)pyridine-2-carbonitrile (PubChem CID 22038353) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-hydroxyethyl)pyridine-2-carbonitrile
PubChem CID22038353
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-(1-hydroxyethyl)pyridine-2-carbonitrile
SMILESCC(O)c1ccc(C#N)nc1
InChIInChI=1S/C8H8N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5-6,11H,1H3
InChIKeyFAJCHKLYSXVKRC-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 5-(1-hydroxyethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(1-hydroxyethyl)pyridine-2-carbonitrile (CID 22038353) is 5-(1-hydroxyethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-hydroxyethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1-hydroxyethyl)pyridine-2-carbonitrile is CC(O)c1ccc(C#N)nc1.
What is the InChIKey of 5-(1-hydroxyethyl)pyridine-2-carbonitrile?
The InChIKey is FAJCHKLYSXVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-6(11)7-2-3-8(4-9)10-5-7/h2-3,5-6,11H,1H3.
What are the key properties of 5-(1-hydroxyethyl)pyridine-2-carbonitrile?
5-(1-hydroxyethyl)pyridine-2-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 5-(1-hydroxyethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 22038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).