2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile

C13H6F4N2 — CID 12949943

IUPAC2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
SMILESN#CC(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H6F4N2/c14-10-9(11(15)13(17)19-12(10)16)8(6-18)7-4-2-1-3-5-7/h1-5,8H
InChIKeyWQHUSCYUWZXDNO-UHFFFAOYSA-N
MW266.20 g/mol
LogP3.29
Rot. Bonds2

About 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile

2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile (PubChem CID 12949943) has the molecular formula C13H6F4N2 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
PubChem CID12949943
Molecular FormulaC13H6F4N2
Molecular Weight266.20 g/mol
Exact Mass266.05
IUPAC Name2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
SMILESN#CC(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H6F4N2/c14-10-9(11(15)13(17)19-12(10)16)8(6-18)7-4-2-1-3-5-7/h1-5,8H
InChIKeyWQHUSCYUWZXDNO-UHFFFAOYSA-N
XLogP3.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 53.29
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

ML318
CID 56604881
Pyridinitril
CID 14146
2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-fluorophenyl)acetonitrile (27)
CID 56604826
2-(4-(Trifluoromethyl)phenyl)-2-(6-(trifluoromethyl) pyridin-2-yl)acetonitrile (29)
CID 56604846
6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinonitrile (26)
CID 56604871
6-(Cyano(4-fluorophenyl)methyl)picolinonitrile (25)
CID 56851824
(2s)-(4-Fluorophenyl)[6-(Trifluoromethyl)pyridin-2-Yl]ethanenitrile
CID 74627698
6-(3-(Trifluoromethyl)phenyl)picolinonitrile
CID 49863205
3-Fluoro-5-[2-(6-fluoro-2-pyridinyl)ethynyl]benzonitrile
CID 70691263
2,3,5,6-Tetrafluoro-4-(2-phenylethynyl)pyridine
CID 770053
2,3,5,6-Tetrafluoro-4-(perfluorophenyl)pyridine
CID 1799118
4-(2-Fluorophenyl)-2,6-dimethylpyridine
CID 13958722

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The IUPAC name of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile (CID 12949943) is 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile is N#CC(c1ccccc1)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The InChIKey is WQHUSCYUWZXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2/c14-10-9(11(15)13(17)19-12(10)16)8(6-18)7-4-2-1-3-5-7/h1-5,8H.
What are the key properties of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile has a molecular weight of 266.20 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile is sourced from PubChem (CID 12949943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).