2-(hydroxymethyl)pyridine-4-carbonitrile

C7H6N2O — CID 13292599

IUPAC2-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(CO)c1
InChIInChI=1S/C7H6N2O/c8-4-6-1-2-9-7(3-6)5-10/h1-3,10H,5H2
InChIKeyMMVBJOBTOMJNHE-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.45
Rot. Bonds1

About 2-(hydroxymethyl)pyridine-4-carbonitrile

2-(hydroxymethyl)pyridine-4-carbonitrile (PubChem CID 13292599) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)pyridine-4-carbonitrile
PubChem CID13292599
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name2-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(CO)c1
InChIInChI=1S/C7H6N2O/c8-4-6-1-2-9-7(3-6)5-10/h1-3,10H,5H2
InChIKeyMMVBJOBTOMJNHE-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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Related Compounds

3-Pyridinemethanol
CID 7510
Piconol
CID 11474
4-Hydroxymethylpyridine
CID 11472
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
Pyridine-2-methanol 1-oxide
CID 82488
(4-Chloropyridin-2-yl)methanol
CID 2763167
(2-Methylpyridin-3-yl)methanol
CID 302564
Phenyl(pyridin-2-yl)methanol
CID 315585
alpha-Methyl-2-pyridinemethanol
CID 86784
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
(4-Bromopyridin-2-yl)methanol
CID 14761462
2-[Hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile
CID 10464594

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)pyridine-4-carbonitrile (CID 13292599) is 2-(hydroxymethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)pyridine-4-carbonitrile is N#Cc1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)pyridine-4-carbonitrile?
The InChIKey is MMVBJOBTOMJNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-4-6-1-2-9-7(3-6)5-10/h1-3,10H,5H2.
What are the key properties of 2-(hydroxymethyl)pyridine-4-carbonitrile?
2-(hydroxymethyl)pyridine-4-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 2-(hydroxymethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 13292599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).