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

C14H8F4N2 — CID 133089773

IUPAC2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(F)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F4N2/c15-12-5-4-9(6-7-19)13(20-12)10-2-1-3-11(8-10)14(16,17)18/h1-5,8H,6H2
InChIKeyMMGGWNWGNLYPSX-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.97
Rot. Bonds2

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

2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 133089773) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
PubChem CID133089773
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(F)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F4N2/c15-12-5-4-9(6-7-19)13(20-12)10-2-1-3-11(8-10)14(16,17)18/h1-5,8H,6H2
InChIKeyMMGGWNWGNLYPSX-UHFFFAOYSA-N
XLogP3.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile
CID 131870107
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 133089648
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929478
2-[2,6-bis[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134618326
2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
CID 133092012
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064
2-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134630126
2-[3-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134626403
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile (CID 133089773) is 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile is N#CCc1ccc(F)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is MMGGWNWGNLYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-12-5-4-9(6-7-19)13(20-12)10-2-1-3-11(8-10)14(16,17)18/h1-5,8H,6H2.
What are the key properties of 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 280.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133089773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).