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

C9H8F2N2O — CID 130078344

IUPAC6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(F)F)c(CO)cc1C#N
InChIInChI=1S/C9H8F2N2O/c1-5-6(3-12)2-7(4-14)8(13-5)9(10)11/h2,9,14H,4H2,1H3
InChIKeyGDLDTKPRKATKCM-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.69
Rot. Bonds2

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

6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile (PubChem CID 130078344) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
PubChem CID130078344
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(F)F)c(CO)cc1C#N
InChIInChI=1S/C9H8F2N2O/c1-5-6(3-12)2-7(4-14)8(13-5)9(10)11/h2,9,14H,4H2,1H3
InChIKeyGDLDTKPRKATKCM-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-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
CID 130078321
[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 119006322
ethyl 2-[5-cyano-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133091237
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile (CID 130078344) is 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile is Cc1nc(C(F)F)c(CO)cc1C#N.
What is the InChIKey of 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is GDLDTKPRKATKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-6(3-12)2-7(4-14)8(13-5)9(10)11/h2,9,14H,4H2,1H3.
What are the key properties of 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile?
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-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 6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130078344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).