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

C10H8F4N2O2 — CID 134682687

IUPAC2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1nc(CC#N)c(OC(F)(F)F)cc1CF
InChIInChI=1S/C10H8F4N2O2/c1-17-9-6(5-11)4-8(18-10(12,13)14)7(16-9)2-3-15/h4H,2,5H2,1H3
InChIKeyQJFYTFVESHHHLF-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.52
Rot. Bonds4

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

2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 134682687) has the molecular formula C10H8F4N2O2 and a molecular weight of 264.18 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID134682687
Molecular FormulaC10H8F4N2O2
Molecular Weight264.18 g/mol
Exact Mass264.05
IUPAC Name2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCOc1nc(CC#N)c(OC(F)(F)F)cc1CF
InChIInChI=1S/C10H8F4N2O2/c1-17-9-6(5-11)4-8(18-10(12,13)14)7(16-9)2-3-15/h4H,2,5H2,1H3
InChIKeyQJFYTFVESHHHLF-UHFFFAOYSA-N
XLogP2.52
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666110
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[6-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667886
2-[3-(chloromethyl)-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094311
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[6-amino-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119014512
2-[2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094978
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134658688

Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 134682687) is 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile is COc1nc(CC#N)c(OC(F)(F)F)cc1CF.
What is the InChIKey of 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is QJFYTFVESHHHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O2/c1-17-9-6(5-11)4-8(18-10(12,13)14)7(16-9)2-3-15/h4H,2,5H2,1H3.
What are the key properties of 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 264.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134682687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).