2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H8ClF3N2O — CID 58873398

IUPAC2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,8H2
InChIKeyOZSRUSLDKKDIFI-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.20
Rot. Bonds3

About 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873398) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873398
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,8H2
InChIKeyOZSRUSLDKKDIFI-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873398) is 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OZSRUSLDKKDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,8H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile 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 2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).