2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile

C7H3F3N2O — CID 130075872

IUPAC2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1cc(O)c(F)nc1C(F)F
InChIInChI=1S/C7H3F3N2O/c8-6(9)5-3(2-11)1-4(13)7(10)12-5/h1,6,13H
InChIKeyQICCSKNIGUPBIC-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.74
Rot. Bonds1

About 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile

2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile (PubChem CID 130075872) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
PubChem CID130075872
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1cc(O)c(F)nc1C(F)F
InChIInChI=1S/C7H3F3N2O/c8-6(9)5-3(2-11)1-4(13)7(10)12-5/h1,6,13H
InChIKeyQICCSKNIGUPBIC-UHFFFAOYSA-N
XLogP1.74
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130103192
6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)pyridin-3-ol
CID 133106260
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbonitrile
CID 130103207
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile (CID 130075872) is 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile is N#Cc1cc(O)c(F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile?
The InChIKey is QICCSKNIGUPBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-6(9)5-3(2-11)1-4(13)7(10)12-5/h1,6,13H.
What are the key properties of 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile?
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile is sourced from PubChem (CID 130075872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).