2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile

C8H4ClF3N2 — CID 131168140

IUPAC2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)ncc1Cl
InChIInChI=1S/C8H4ClF3N2/c9-6-4-14-7(8(10,11)12)3-5(6)1-2-13/h3-4H,1H2
InChIKeyVPTQBQMIXMHINL-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.82
Rot. Bonds1

About 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile

2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 131168140) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID131168140
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)ncc1Cl
InChIInChI=1S/C8H4ClF3N2/c9-6-4-14-7(8(10,11)12)3-5(6)1-2-13/h3-4H,1H2
InChIKeyVPTQBQMIXMHINL-UHFFFAOYSA-N
XLogP2.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-[5-phenyl-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133096208
2-[4-phenyl-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095880
2-[4-nitro-6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095862
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
2-(4-chloro-6-fluoro-3-pyridinyl)acetonitrile
CID 130895640
2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130663375
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704330
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 131168140) is 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1cc(C(F)(F)F)ncc1Cl.
What is the InChIKey of 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is VPTQBQMIXMHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-6-4-14-7(8(10,11)12)3-5(6)1-2-13/h3-4H,1H2.
What are the key properties of 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 131168140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).