2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile

C9H8F2N2O2 — CID 130078059

IUPAC2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(C#N)cc1CO
InChIInChI=1S/C9H8F2N2O2/c1-15-9-6(4-14)2-5(3-12)7(13-9)8(10)11/h2,8,14H,4H2,1H3
InChIKeyASSRMHPULNQVNF-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.39
Rot. Bonds3

About 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile

2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile (PubChem CID 130078059) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
PubChem CID130078059
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(C#N)cc1CO
InChIInChI=1S/C9H8F2N2O2/c1-15-9-6(4-14)2-5(3-12)7(13-9)8(10)11/h2,8,14H,4H2,1H3
InChIKeyASSRMHPULNQVNF-UHFFFAOYSA-N
XLogP1.39
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-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

5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
3-fluoro-5-(hydroxymethyl)-6-methoxypyridine-2-carbonitrile
CID 55253048
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
CID 118832128
[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
CID 130080748

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile (CID 130078059) is 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile is COc1nc(C(F)F)c(C#N)cc1CO.
What is the InChIKey of 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile?
The InChIKey is ASSRMHPULNQVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-15-9-6(4-14)2-5(3-12)7(13-9)8(10)11/h2,8,14H,4H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile?
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile has a molecular weight of 214.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130078059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).