2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile

C15H12F2N2O2 — CID 161392900

IUPAC2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
SMILESCCn1c(-c2c(F)cc(OCC#N)cc2F)cccc1=O
InChIInChI=1S/C15H12F2N2O2/c1-2-19-13(4-3-5-14(19)20)15-11(16)8-10(9-12(15)17)21-7-6-18/h3-5,8-9H,2,7H2,1H3
InChIKeyRYMDGFIQJXAFTC-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile

2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile (PubChem CID 161392900) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
PubChem CID161392900
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
SMILESCCn1c(-c2c(F)cc(OCC#N)cc2F)cccc1=O
InChIInChI=1S/C15H12F2N2O2/c1-2-19-13(4-3-5-14(19)20)15-11(16)8-10(9-12(15)17)21-7-6-18/h3-5,8-9H,2,7H2,1H3
InChIKeyRYMDGFIQJXAFTC-UHFFFAOYSA-N
XLogP2.72
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile?
The IUPAC name of 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile (CID 161392900) is 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile?
The canonical SMILES for 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile is CCn1c(-c2c(F)cc(OCC#N)cc2F)cccc1=O.
What is the InChIKey of 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile?
The InChIKey is RYMDGFIQJXAFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-2-19-13(4-3-5-14(19)20)15-11(16)8-10(9-12(15)17)21-7-6-18/h3-5,8-9H,2,7H2,1H3.
What are the key properties of 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile?
2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile has a molecular weight of 290.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile is sourced from PubChem (CID 161392900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).