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

C8H4F4N2 — CID 118704330

IUPAC2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)ncc1C(F)(F)F
InChIInChI=1S/C8H4F4N2/c9-7-3-5(1-2-13)6(4-14-7)8(10,11)12/h3-4H,1H2
InChIKeyRAHLCEWBSSYOPX-UHFFFAOYSA-N
MW204.13 g/mol
LogP2.31
Rot. Bonds1

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

2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 118704330) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID118704330
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(F)ncc1C(F)(F)F
InChIInChI=1S/C8H4F4N2/c9-7-3-5(1-2-13)6(4-14-7)8(10,11)12/h3-4H,1H2
InChIKeyRAHLCEWBSSYOPX-UHFFFAOYSA-N
XLogP2.31
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 52.31
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-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166912974
2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119024029
2-(4-chloro-6-fluoro-3-pyridinyl)acetonitrile
CID 130895640
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[2-fluoro-4,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 118851669
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
4-(cyanomethyl)-2,5-bis(trifluoromethyl)benzonitrile
CID 162523439
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227
3-(cyanomethyl)-4-(trifluoromethyl)benzonitrile
CID 162523451
2-[4,5-bis(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133095159
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 118704330) is 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1cc(F)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is RAHLCEWBSSYOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c9-7-3-5(1-2-13)6(4-14-7)8(10,11)12/h3-4H,1H2.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 204.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118704330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).