2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C10H7F5N2O2 — CID 118809568

IUPAC2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1cc(OC(F)(F)F)c(C(F)F)nc1CC#N
InChIInChI=1S/C10H7F5N2O2/c1-18-6-4-7(19-10(13,14)15)8(9(11)12)17-5(6)2-3-16/h4,9H,2H2,1H3
InChIKeyVHNGBPWFBJHZBL-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.99
Rot. Bonds4

About 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 118809568) has the molecular formula C10H7F5N2O2 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID118809568
Molecular FormulaC10H7F5N2O2
Molecular Weight282.17 g/mol
Exact Mass282.04
IUPAC Name2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1cc(OC(F)(F)F)c(C(F)F)nc1CC#N
InChIInChI=1S/C10H7F5N2O2/c1-18-6-4-7(19-10(13,14)15)8(9(11)12)17-5(6)2-3-16/h4,9H,2H2,1H3
InChIKeyVHNGBPWFBJHZBL-UHFFFAOYSA-N
XLogP2.99
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118804402
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666110
2-[5-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133099076
2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682687
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439
2-[6-(difluoromethyl)-5-methoxy-3-nitro-2-pyridinyl]acetonitrile
CID 118848485
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
CID 118843665

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 118809568) is 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile is COc1cc(OC(F)(F)F)c(C(F)F)nc1CC#N.
What is the InChIKey of 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is VHNGBPWFBJHZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2O2/c1-18-6-4-7(19-10(13,14)15)8(9(11)12)17-5(6)2-3-16/h4,9H,2H2,1H3.
What are the key properties of 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 282.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118809568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).