2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H4F6N2 — CID 133104341

IUPAC2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H4F6N2/c10-6-3-4(9(13,14)15)7(8(11)12)5(17-6)1-2-16/h3,8H,1H2
InChIKeyHRGGVACHPIZKOW-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.24
Rot. Bonds2

About 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 133104341) has the molecular formula C9H4F6N2 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID133104341
Molecular FormulaC9H4F6N2
Molecular Weight254.13 g/mol
Exact Mass254.03
IUPAC Name2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(F)cc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C9H4F6N2/c10-6-3-4(9(13,14)15)7(8(11)12)5(17-6)1-2-16/h3,8H,1H2
InChIKeyHRGGVACHPIZKOW-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.24
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

[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715
2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
CID 130081079
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118842791
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 133104341) is 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(F)cc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is HRGGVACHPIZKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2/c10-6-3-4(9(13,14)15)7(8(11)12)5(17-6)1-2-16/h3,8H,1H2.
What are the key properties of 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 254.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133104341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).