4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile

C8H5F3N2O — CID 130076168

IUPAC4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)cc(C(F)F)c1F
InChIInChI=1S/C8H5F3N2O/c9-7-5(8(10)11)1-4(3-14)13-6(7)2-12/h1,8,14H,3H2
InChIKeyTVMZGHIPUYTVPT-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.52
Rot. Bonds2

About 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile

4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130076168) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130076168
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)cc(C(F)F)c1F
InChIInChI=1S/C8H5F3N2O/c9-7-5(8(10)11)1-4(3-14)13-6(7)2-12/h1,8,14H,3H2
InChIKeyTVMZGHIPUYTVPT-UHFFFAOYSA-N
XLogP1.52
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
4-(difluoromethyl)-6-(hydroxymethyl)-3-nitropyridine-2-carbonitrile
CID 119017707
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanol
CID 118846106
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130096001
6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103568

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile (CID 130076168) is 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1nc(CO)cc(C(F)F)c1F.
What is the InChIKey of 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is TVMZGHIPUYTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-7-5(8(10)11)1-4(3-14)13-6(7)2-12/h1,8,14H,3H2.
What are the key properties of 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile?
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130076168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).