2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C9H4F6N2 — CID 133104127

IUPAC2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)c(F)cc1C(F)F
InChIInChI=1S/C9H4F6N2/c10-5-3-4(8(11)12)6(1-2-16)17-7(5)9(13,14)15/h3,8H,1H2
InChIKeyMVIDIHWSUZUNSG-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.24
Rot. Bonds2

About 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 133104127) has the molecular formula C9H4F6N2 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID133104127
Molecular FormulaC9H4F6N2
Molecular Weight254.13 g/mol
Exact Mass254.03
IUPAC Name2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)c(F)cc1C(F)F
InChIInChI=1S/C9H4F6N2/c10-5-3-4(8(11)12)6(1-2-16)17-7(5)9(13,14)15/h3,8H,1H2
InChIKeyMVIDIHWSUZUNSG-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

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Related Compounds

2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089
2-[5-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133099076
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-chloro-3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine
CID 130071827
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118817542
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-[4-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118840572
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 133104127) is 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)(F)F)c(F)cc1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is MVIDIHWSUZUNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2/c10-5-3-4(8(11)12)6(1-2-16)17-7(5)9(13,14)15/h3,8H,1H2.
What are the key properties of 2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-(difluoromethyl)-5-fluoro-6-(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)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133104127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).