2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile

C10H9F3N2O2 — CID 134666342

IUPAC2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESCOc1cnc(OC(F)(F)F)c(CC#N)c1C
InChIInChI=1S/C10H9F3N2O2/c1-6-7(3-4-14)9(17-10(11,12)13)15-5-8(6)16-2/h5H,3H2,1-2H3
InChIKeyOFOXRUSBJMOSQH-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.36
Rot. Bonds3

About 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile

2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 134666342) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID134666342
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESCOc1cnc(OC(F)(F)F)c(CC#N)c1C
InChIInChI=1S/C10H9F3N2O2/c1-6-7(3-4-14)9(17-10(11,12)13)15-5-8(6)16-2/h5H,3H2,1-2H3
InChIKeyOFOXRUSBJMOSQH-UHFFFAOYSA-N
XLogP2.36
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663767
2-[2-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118804434
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134682676
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
2-[5-(bromomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134670808
2-[4-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659144
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
2-[5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667453

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 134666342) is 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile is COc1cnc(OC(F)(F)F)c(CC#N)c1C.
What is the InChIKey of 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is OFOXRUSBJMOSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-6-7(3-4-14)9(17-10(11,12)13)15-5-8(6)16-2/h5H,3H2,1-2H3.
What are the key properties of 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 246.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134666342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).