2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile

C13H6ClF3N2O — CID 83072753

IUPAC2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H6ClF3N2O/c14-11-4-8(7-18)5-12(19-11)20-10-3-1-2-9(6-10)13(15,16)17/h1-6H
InChIKeyIBTGBOMDVIGDIO-UHFFFAOYSA-N
MW298.65 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile

2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile (PubChem CID 83072753) has the molecular formula C13H6ClF3N2O and a molecular weight of 298.65 g/mol. Its IUPAC name is 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
PubChem CID83072753
Molecular FormulaC13H6ClF3N2O
Molecular Weight298.65 g/mol
Exact Mass298.01
IUPAC Name2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H6ClF3N2O/c14-11-4-8(7-18)5-12(19-11)20-10-3-1-2-9(6-10)13(15,16)17/h1-6H
InChIKeyIBTGBOMDVIGDIO-UHFFFAOYSA-N
XLogP4.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 102715183
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
CID 102715253
2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122517057
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
CID 166799798
5-ethynyl-2-[3-(trifluoromethyl)phenoxy]benzonitrile
CID 86697024
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114287868
3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80510221
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile (CID 83072753) is 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The InChIKey is IBTGBOMDVIGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O/c14-11-4-8(7-18)5-12(19-11)20-10-3-1-2-9(6-10)13(15,16)17/h1-6H.
What are the key properties of 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile has a molecular weight of 298.65 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 83072753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).