4-(hydroxymethyl)pyridine-2-carbonitrile

C7H6N2O — CID 10725391

IUPAC4-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CO)ccn1
InChIInChI=1S/C7H6N2O/c8-4-7-3-6(5-10)1-2-9-7/h1-3,10H,5H2
InChIKeyZJSSDJCFSASGNQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.45
Rot. Bonds1

About 4-(hydroxymethyl)pyridine-2-carbonitrile

4-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 10725391) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID10725391
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name4-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CO)ccn1
InChIInChI=1S/C7H6N2O/c8-4-7-3-6(5-10)1-2-9-7/h1-3,10H,5H2
InChIKeyZJSSDJCFSASGNQ-UHFFFAOYSA-N
XLogP0.45
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(hydroxymethyl)pyridine-2-carbonitrile (CID 10725391) is 4-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1cc(CO)ccn1.
What is the InChIKey of 4-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is ZJSSDJCFSASGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-4-7-3-6(5-10)1-2-9-7/h1-3,10H,5H2.
What are the key properties of 4-(hydroxymethyl)pyridine-2-carbonitrile?
4-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 10725391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).