2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile

C14H8ClF3N2O — CID 133094110

IUPAC2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H8ClF3N2O/c15-12-7-9(5-6-19)8-20-13(12)10-1-3-11(4-2-10)21-14(16,17)18/h1-4,7-8H,5H2
InChIKeyWWFOITYSCXLJNH-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.37
Rot. Bonds3

About 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile

2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 133094110) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
PubChem CID133094110
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H8ClF3N2O/c15-12-7-9(5-6-19)8-20-13(12)10-1-3-11(4-2-10)21-14(16,17)18/h1-4,7-8H,5H2
InChIKeyWWFOITYSCXLJNH-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
5-amino-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086771
2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094378
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
[5-chloro-6-[3-methyl-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]phenyl]-3-pyridinyl] thiocyanate
CID 164525952
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
2-[5-amino-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine
CID 90240743

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (CID 133094110) is 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is N#CCc1cnc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is WWFOITYSCXLJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-12-7-9(5-6-19)8-20-13(12)10-1-3-11(4-2-10)21-14(16,17)18/h1-4,7-8H,5H2.
What are the key properties of 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 312.68 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).