6-(3-hydroxypropyl)pyridine-2-carbonitrile

C9H10N2O — CID 22939443

IUPAC6-(3-hydroxypropyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(CCCO)n1
InChIInChI=1S/C9H10N2O/c10-7-9-4-1-3-8(11-9)5-2-6-12/h1,3-4,12H,2,5-6H2
InChIKeyNDHATFVFGNLIDI-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.88
Rot. Bonds3

About 6-(3-hydroxypropyl)pyridine-2-carbonitrile

6-(3-hydroxypropyl)pyridine-2-carbonitrile (PubChem CID 22939443) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxypropyl)pyridine-2-carbonitrile
PubChem CID22939443
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-(3-hydroxypropyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(CCCO)n1
InChIInChI=1S/C9H10N2O/c10-7-9-4-1-3-8(11-9)5-2-6-12/h1,3-4,12H,2,5-6H2
InChIKeyNDHATFVFGNLIDI-UHFFFAOYSA-N
XLogP0.88
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-hydroxypropyl)pyridine-2-carbonitrile (CID 22939443) is 6-(3-hydroxypropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-hydroxypropyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-hydroxypropyl)pyridine-2-carbonitrile is N#Cc1cccc(CCCO)n1.
What is the InChIKey of 6-(3-hydroxypropyl)pyridine-2-carbonitrile?
The InChIKey is NDHATFVFGNLIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-7-9-4-1-3-8(11-9)5-2-6-12/h1,3-4,12H,2,5-6H2.
What are the key properties of 6-(3-hydroxypropyl)pyridine-2-carbonitrile?
6-(3-hydroxypropyl)pyridine-2-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 22939443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).