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

C9H8F2N2O — CID 119012278

IUPAC6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
SMILESCc1c(CO)cc(C(F)F)nc1C#N
InChIInChI=1S/C9H8F2N2O/c1-5-6(4-14)2-7(9(10)11)13-8(5)3-12/h2,9,14H,4H2,1H3
InChIKeyRELXERSZDBGIEF-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.69
Rot. Bonds2

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

6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile (PubChem CID 119012278) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
PubChem CID119012278
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
SMILESCc1c(CO)cc(C(F)F)nc1C#N
InChIInChI=1S/C9H8F2N2O/c1-5-6(4-14)2-7(9(10)11)13-8(5)3-12/h2,9,14H,4H2,1H3
InChIKeyRELXERSZDBGIEF-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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile (CID 119012278) is 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile is Cc1c(CO)cc(C(F)F)nc1C#N.
What is the InChIKey of 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile?
The InChIKey is RELXERSZDBGIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-6(4-14)2-7(9(10)11)13-8(5)3-12/h2,9,14H,4H2,1H3.
What are the key properties of 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile?
6-(difluoromethyl)-4-(hydroxymethyl)-3-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 6-(difluoromethyl)-4-(hydroxymethyl)-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 119012278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).