3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile

C9H8F2N2O — CID 130078305

IUPAC3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(CO)c(C(F)F)c(C#N)n1
InChIInChI=1S/C9H8F2N2O/c1-5-2-6(4-14)8(9(10)11)7(3-12)13-5/h2,9,14H,4H2,1H3
InChIKeyOSMGLAPUSJTOIK-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.69
Rot. Bonds2

About 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile

3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile (PubChem CID 130078305) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
PubChem CID130078305
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(CO)c(C(F)F)c(C#N)n1
InChIInChI=1S/C9H8F2N2O/c1-5-2-6(4-14)8(9(10)11)7(3-12)13-5/h2,9,14H,4H2,1H3
InChIKeyOSMGLAPUSJTOIK-UHFFFAOYSA-N
XLogP1.69
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol
CID 2760122
2,6-Dimethyl-4-(hydroxymethyl)pyridine
CID 3825077
(4,6-Dimethylpyridin-2-yl)methanol
CID 4296719
4-(Hydroxymethyl)pyridine-2-carbonitrile
CID 10725391
2-Chloro-6-(trifluoromethyl)-4-pyridinemethanol
CID 72212583
2-(Hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile
CID 66545162
(2,6-Bis(trifluoromethyl)pyridin-4-yl)methanol
CID 66545218
[3-(Hydroxymethyl)-2,6-dimethylpyridin-4-yl]methanol
CID 820383
(3,6-Dimethylpyridin-2-yl)methanol
CID 29923594
4-Butyl-6-ethylpyridine-2-methanol
CID 86243510
3-Pyridinemethanol, alpha,2,4,6-tetramethyl-
CID 144473
(6-Methyl-4-trifluoromethyl-pyridin-2-yl)-methanol
CID 17862327

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile (CID 130078305) is 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile is Cc1cc(CO)c(C(F)F)c(C#N)n1.
What is the InChIKey of 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is OSMGLAPUSJTOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-2-6(4-14)8(9(10)11)7(3-12)13-5/h2,9,14H,4H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile?
3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 198.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130078305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).