2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile

C14H6Cl3F3N2 — CID 134636914

IUPAC2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C14H6Cl3F3N2/c15-8-5-9(16)12(10(17)6-8)11-2-1-7(3-4-21)13(22-11)14(18,19)20/h1-2,5-6H,3H2
InChIKeyGEOFDSGGCNNIRU-UHFFFAOYSA-N
MW365.57 g/mol
LogP5.79
Rot. Bonds2

About 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 134636914) has the molecular formula C14H6Cl3F3N2 and a molecular weight of 365.57 g/mol. Its IUPAC name is 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID134636914
Molecular FormulaC14H6Cl3F3N2
Molecular Weight365.57 g/mol
Exact Mass363.95
IUPAC Name2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F
InChIInChI=1S/C14H6Cl3F3N2/c15-8-5-9(16)12(10(17)6-8)11-2-1-7(3-4-21)13(22-11)14(18,19)20/h1-2,5-6H,3H2
InChIKeyGEOFDSGGCNNIRU-UHFFFAOYSA-N
XLogP5.79
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636359
2-[6-iodo-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 131054376
2-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118704436
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131168140
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 134636914) is 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F.
What is the InChIKey of 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is GEOFDSGGCNNIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F3N2/c15-8-5-9(16)12(10(17)6-8)11-2-1-7(3-4-21)13(22-11)14(18,19)20/h1-2,5-6H,3H2.
What are the key properties of 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 365.57 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134636914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).