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

C14H7Cl2F3N2 — CID 118802502

IUPAC2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2c(Cl)cccc2Cl)c1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3N2/c15-9-2-1-3-10(16)11(9)13-12(14(17,18)19)8(4-6-20)5-7-21-13/h1-3,5,7H,4H2
InChIKeyJHKSAXVMOQDQBZ-UHFFFAOYSA-N
MW331.12 g/mol
LogP5.14
Rot. Bonds2

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

2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 118802502) has the molecular formula C14H7Cl2F3N2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID118802502
Molecular FormulaC14H7Cl2F3N2
Molecular Weight331.12 g/mol
Exact Mass329.99
IUPAC Name2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2c(Cl)cccc2Cl)c1C(F)(F)F
InChIInChI=1S/C14H7Cl2F3N2/c15-9-2-1-3-10(16)11(9)13-12(14(17,18)19)8(4-6-20)5-7-21-13/h1-3,5,7H,4H2
InChIKeyJHKSAXVMOQDQBZ-UHFFFAOYSA-N
XLogP5.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.12
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848
2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 118830574
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
2-[5-chloro-6-(2,6-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094318
2-[3-bromo-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704175
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-[3-chloro-2-(2,3,6-trichlorophenyl)phenyl]acetonitrile
CID 134630550
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 118802502) is 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(-c2c(Cl)cccc2Cl)c1C(F)(F)F.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is JHKSAXVMOQDQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2/c15-9-2-1-3-10(16)11(9)13-12(14(17,18)19)8(4-6-20)5-7-21-13/h1-3,5,7H,4H2.
What are the key properties of 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 331.12 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118802502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).