2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile

C14H8ClF3N2 — CID 134626403

IUPAC2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H8ClF3N2/c15-11-4-5-12(20-13(11)6-7-19)9-2-1-3-10(8-9)14(16,17)18/h1-5,8H,6H2
InChIKeyUVUXHYDDTQMXHG-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.49
Rot. Bonds2

About 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile

2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile (PubChem CID 134626403) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
PubChem CID134626403
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H8ClF3N2/c15-11-4-5-12(20-13(11)6-7-19)9-2-1-3-10(8-9)14(16,17)18/h1-5,8H,6H2
InChIKeyUVUXHYDDTQMXHG-UHFFFAOYSA-N
XLogP4.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809
2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064
2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929478
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
8-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]quinoline
CID 58154748
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661
2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134630126
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile (CID 134626403) is 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile is N#CCc1nc(-c2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
The InChIKey is UVUXHYDDTQMXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c15-11-4-5-12(20-13(11)6-7-19)9-2-1-3-10(8-9)14(16,17)18/h1-5,8H,6H2.
What are the key properties of 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile?
2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile has a molecular weight of 296.68 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134626403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).