4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile

C14H8ClF3N2O — CID 2809321

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H8ClF3N2O/c15-12-5-10(14(16,17)18)7-20-13(12)8-21-11-3-1-9(6-19)2-4-11/h1-5,7H,8H2
InChIKeyZRGFZYHPHXZFPB-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.20
Rot. Bonds3

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile (PubChem CID 2809321) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile
PubChem CID2809321
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H8ClF3N2O/c15-12-5-10(14(16,17)18)7-20-13(12)8-21-11-3-1-9(6-19)2-4-11/h1-5,7H,8H2
InChIKeyZRGFZYHPHXZFPB-UHFFFAOYSA-N
XLogP4.20
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
US10155760, Example 147
CID 118429884
3-Chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
CID 2745744
US10155760, Example 158
CID 118420068
1-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethan-1-one
CID 2745745
4-[(3,5-Dichloro-4-pyridinyl)oxy]benzonitrile
CID 2746711
3-Chloro-2-[(2,4-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
CID 2809320
3-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-2-butanone
CID 3760929
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanol
CID 4522761
US10155760, Example 169
CID 118420060
5-(3-Chlorophenyl)-3-methoxy-2-pyridinecarbonitrile
CID 71075701
3-(4-Chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 2740536

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile (CID 2809321) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile is N#Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile?
The InChIKey is ZRGFZYHPHXZFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-12-5-10(14(16,17)18)7-20-13(12)8-21-11-3-1-9(6-19)2-4-11/h1-5,7H,8H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile has a molecular weight of 312.68 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 2809321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).