2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C10H6F6N2O2 — CID 134682248

IUPAC2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESCOc1cc(CC#N)nc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H6F6N2O2/c1-19-6-4-5(2-3-17)18-8(9(11,12)13)7(6)20-10(14,15)16/h4H,2H2,1H3
InChIKeyHXRVWWLGGBNRQK-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.07
Rot. Bonds3

About 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134682248) has the molecular formula C10H6F6N2O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134682248
Molecular FormulaC10H6F6N2O2
Molecular Weight300.16 g/mol
Exact Mass300.03
IUPAC Name2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESCOc1cc(CC#N)nc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H6F6N2O2/c1-19-6-4-5(2-3-17)18-8(9(11,12)13)7(6)20-10(14,15)16/h4H,2H2,1H3
InChIKeyHXRVWWLGGBNRQK-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-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
2-[4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118852362
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
2-[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095823
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339
2-[5-(chloromethyl)-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094633
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
2-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]acetonitrile;ethane
CID 162523541

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 134682248) is 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is COc1cc(CC#N)nc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is HXRVWWLGGBNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O2/c1-19-6-4-5(2-3-17)18-8(9(11,12)13)7(6)20-10(14,15)16/h4H,2H2,1H3.
What are the key properties of 2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-methoxy-5-(trifluoromethoxy)-6-(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-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134682248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).