5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile

C8H5F3N2O2 — CID 130091929

IUPAC5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(CO)c1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-7-6(4-14)1-5(2-12)3-13-7/h1,3,14H,4H2
InChIKeyAPFMWECEPJVZGX-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.34
Rot. Bonds2

About 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile

5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 130091929) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID130091929
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(CO)c1
InChIInChI=1S/C8H5F3N2O2/c9-8(10,11)15-7-6(4-14)1-5(2-12)3-13-7/h1,3,14H,4H2
InChIKeyAPFMWECEPJVZGX-UHFFFAOYSA-N
XLogP1.34
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091817
4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834947
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118806347
6-[2-(hydroxymethyl)phenoxy]-5-nitropyridine-3-carbonitrile
CID 107713407
ethyl 2-(5-cyano-2-methoxy-3-pyridinyl)acetate
CID 133097500
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
7-(trifluoromethoxy)quinoline-3-carbonitrile
CID 143333588
(5-cyano-3-phenyl-2-pyridinyl) trifluoromethanesulfonate;ethane
CID 142961712
4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096108
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
5-fluoro-6-(2-hydroxyethoxy)pyridine-3-carbonitrile;2-methylpropane
CID 172604288

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 130091929) is 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(OC(F)(F)F)c(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is APFMWECEPJVZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-8(10,11)15-7-6(4-14)1-5(2-12)3-13-7/h1,3,14H,4H2.
What are the key properties of 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile?
5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 218.13 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 130091929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).