4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile

C8H6F2N2O — CID 130096001

IUPAC4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)cc(CO)n1
InChIInChI=1S/C8H6F2N2O/c9-8(10)5-1-6(3-11)12-7(2-5)4-13/h1-2,8,13H,4H2
InChIKeyNUXNQGAMOMHSSH-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.38
Rot. Bonds2

About 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile

4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130096001) has the molecular formula C8H6F2N2O and a molecular weight of 184.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130096001
Molecular FormulaC8H6F2N2O
Molecular Weight184.14 g/mol
Exact Mass184.04
IUPAC Name4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)cc(CO)n1
InChIInChI=1S/C8H6F2N2O/c9-8(10)5-1-6(3-11)12-7(2-5)4-13/h1-2,8,13H,4H2
InChIKeyNUXNQGAMOMHSSH-UHFFFAOYSA-N
XLogP1.38
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134668564
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
CID 130078046
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (CID 130096001) is 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1cc(C(F)F)cc(CO)n1.
What is the InChIKey of 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is NUXNQGAMOMHSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)5-1-6(3-11)12-7(2-5)4-13/h1-2,8,13H,4H2.
What are the key properties of 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 184.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130096001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).