6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile

C8H5F3N2O — CID 174754004

IUPAC6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile
SMILESCCOc1nc(C#N)c(F)c(F)c1F
InChIInChI=1S/C8H5F3N2O/c1-2-14-8-7(11)6(10)5(9)4(3-12)13-8/h2H2,1H3
InChIKeyDCNWMEQCCXDFFE-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.77
Rot. Bonds2

About 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile

6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile (PubChem CID 174754004) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile
PubChem CID174754004
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile
SMILESCCOc1nc(C#N)c(F)c(F)c1F
InChIInChI=1S/C8H5F3N2O/c1-2-14-8-7(11)6(10)5(9)4(3-12)13-8/h2H2,1H3
InChIKeyDCNWMEQCCXDFFE-UHFFFAOYSA-N
XLogP1.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile?
The IUPAC name of 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile (CID 174754004) is 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile?
The canonical SMILES for 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile is CCOc1nc(C#N)c(F)c(F)c1F.
What is the InChIKey of 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile?
The InChIKey is DCNWMEQCCXDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-2-14-8-7(11)6(10)5(9)4(3-12)13-8/h2H2,1H3.
What are the key properties of 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile?
6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3,4,5-trifluoropyridine-2-carbonitrile is sourced from PubChem (CID 174754004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).