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

C7H3F3N2O2 — CID 130091817

IUPAC5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(O)c1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-5(13)1-4(2-11)3-12-6/h1,3,13H
InChIKeyZLPWRVLMWWALFP-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.56
Rot. Bonds1

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

5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 130091817) has the molecular formula C7H3F3N2O2 and a molecular weight of 204.11 g/mol. Its IUPAC name is 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID130091817
Molecular FormulaC7H3F3N2O2
Molecular Weight204.11 g/mol
Exact Mass204.01
IUPAC Name5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(OC(F)(F)F)c(O)c1
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-5(13)1-4(2-11)3-12-6/h1,3,13H
InChIKeyZLPWRVLMWWALFP-UHFFFAOYSA-N
XLogP1.56
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091929
3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131443409
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
7-(trifluoromethoxy)quinoline-3-carbonitrile
CID 143333588
4,5-difluoro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096108
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
8-hydroxyquinoline-3,6-dicarbonitrile
CID 139640777
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
2-[4-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659144
(5-cyano-3-phenyl-2-pyridinyl) trifluoromethanesulfonate;ethane
CID 142961712
4,5-dimethoxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096110

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile (CID 130091817) is 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(OC(F)(F)F)c(O)c1.
What is the InChIKey of 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is ZLPWRVLMWWALFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2/c8-7(9,10)14-6-5(13)1-4(2-11)3-12-6/h1,3,13H.
What are the key properties of 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile?
5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 204.11 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 130091817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).