5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile

C7H3F3N2O — CID 130822545

IUPAC5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(O)c1C(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)6-4(1-11)2-12-3-5(6)13/h2-3,13H
InChIKeyGOMLPQPPCNCADL-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.68
Rot. Bonds

About 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile

5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 130822545) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID130822545
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(O)c1C(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)6-4(1-11)2-12-3-5(6)13/h2-3,13H
InChIKeyGOMLPQPPCNCADL-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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 130822545) is 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cncc(O)c1C(F)(F)F.
What is the InChIKey of 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is GOMLPQPPCNCADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-7(9,10)6-4(1-11)2-12-3-5(6)13/h2-3,13H.
What are the key properties of 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile?
5-hydroxy-4-(trifluoromethyl)pyridine-3-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 5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130822545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).