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

C8H5F3N2O — CID 130076174

IUPAC5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(C(F)F)cc1CO
InChIInChI=1S/C8H5F3N2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,7,14H,3H2
InChIKeyHVSHRWSTXQRBIV-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.52
Rot. Bonds2

About 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile

5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130076174) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130076174
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(C(F)F)cc1CO
InChIInChI=1S/C8H5F3N2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,7,14H,3H2
InChIKeyHVSHRWSTXQRBIV-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

Computed Properties (RDKit)

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

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Related Compounds

3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078932
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile
CID 119003364

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile (CID 130076174) is 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1nc(F)c(C(F)F)cc1CO.
What is the InChIKey of 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is HVSHRWSTXQRBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,7,14H,3H2.
What are the key properties of 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile?
5-(difluoromethyl)-6-fluoro-3-(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 5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130076174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).