2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

C10H6F6N2O2 — CID 134668297

IUPAC2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESCOc1c(C(F)(F)F)cc(OC(F)(F)F)nc1CC#N
InChIInChI=1S/C10H6F6N2O2/c1-19-8-5(9(11,12)13)4-7(20-10(14,15)16)18-6(8)2-3-17/h4H,2H2,1H3
InChIKeySAAYSXKAZAPRGP-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.07
Rot. Bonds3

About 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134668297) has the molecular formula C10H6F6N2O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134668297
Molecular FormulaC10H6F6N2O2
Molecular Weight300.16 g/mol
Exact Mass300.03
IUPAC Name2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESCOc1c(C(F)(F)F)cc(OC(F)(F)F)nc1CC#N
InChIInChI=1S/C10H6F6N2O2/c1-19-8-5(9(11,12)13)4-7(20-10(14,15)16)18-6(8)2-3-17/h4H,2H2,1H3
InChIKeySAAYSXKAZAPRGP-UHFFFAOYSA-N
XLogP3.07
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-[2-(bromomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118855182
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
2-[6-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667886
2-[3-hydroxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112096
2-[2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843848
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134682248
2-[3-hydroxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134679216
2-[3-iodo-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666760
2-(fluoromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridin-3-ol
CID 134681363

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 134668297) is 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is COc1c(C(F)(F)F)cc(OC(F)(F)F)nc1CC#N.
What is the InChIKey of 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is SAAYSXKAZAPRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O2/c1-19-8-5(9(11,12)13)4-7(20-10(14,15)16)18-6(8)2-3-17/h4H,2H2,1H3.
What are the key properties of 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 300.16 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134668297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).