2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile

C9H5F5N2O — CID 118994557

IUPAC2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)ccnc1OC(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)17-7-5(1-3-15)6(2-4-16-7)9(12,13)14/h2,4,8H,1H2
InChIKeyYYHVKZKBPXGIAV-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.77
Rot. Bonds3

About 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 118994557) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID118994557
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)ccnc1OC(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)17-7-5(1-3-15)6(2-4-16-7)9(12,13)14/h2,4,8H,1H2
InChIKeyYYHVKZKBPXGIAV-UHFFFAOYSA-N
XLogP2.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 130092527
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
2-[3-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133098584
2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133100436
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
2-[2-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119003826
1-(difluoromethoxy)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742735
2-[3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 130980173
2-[5-iodo-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134663062
3-(fluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine
CID 130864281
2-[2-chloro-3-fluoro-6-(trifluoromethyl)phenyl]acetonitrile
CID 171008918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 118994557) is 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1c(C(F)(F)F)ccnc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is YYHVKZKBPXGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c10-8(11)17-7-5(1-3-15)6(2-4-16-7)9(12,13)14/h2,4,8H,1H2.
What are the key properties of 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 252.14 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).