3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile

C7H3F3N2O — CID 130866916

IUPAC3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)4-1-6(13)5(2-11)12-3-4/h1,3,13H
InChIKeyISECWSMHJGHPSB-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.68
Rot. Bonds

About 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile

3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130866916) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130866916
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)4-1-6(13)5(2-11)12-3-4/h1,3,13H
InChIKeyISECWSMHJGHPSB-UHFFFAOYSA-N
XLogP1.68
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 46315397
3-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 1475875
3-(4-fluorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 1478730
3-hydroxy-5-methoxypyridine-2-carbonitrile
CID 130776778
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 3306681
2-(bromomethyl)-5-(trifluoromethyl)pyridin-3-ol;hydrobromide
CID 133062446
3-hydroxy-5-nitropyridine-2-carbonitrile
CID 130776817
3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 103596169
[6-cyano-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 75485847
5-(trifluoromethyl)pyrazine-2,3-dicarbonitrile
CID 10987216
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 130866916) is 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)cc1O.
What is the InChIKey of 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is ISECWSMHJGHPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-7(9,10)4-1-6(13)5(2-11)12-3-4/h1,3,13H.
What are the key properties of 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130866916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).