ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile

C16H17FN2O2 — CID 145013896

IUPACethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile
SMILESCC.COc1cnc(Oc2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C14H11FN2O2.C2H6/c1-9-12(7-16)14(17-8-13(9)18-2)19-11-5-3-4-10(15)6-11;1-2/h3-6,8H,1-2H3;1-2H3
InChIKeyZQWHIHJPRJUNGX-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.23
Rot. Bonds3

About ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile

ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile (PubChem CID 145013896) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile
PubChem CID145013896
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile
SMILESCC.COc1cnc(Oc2cccc(F)c2)c(C#N)c1C
InChIInChI=1S/C14H11FN2O2.C2H6/c1-9-12(7-16)14(17-8-13(9)18-2)19-11-5-3-4-10(15)6-11;1-2/h3-6,8H,1-2H3;1-2H3
InChIKeyZQWHIHJPRJUNGX-UHFFFAOYSA-N
XLogP4.23
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile?
The IUPAC name of ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile (CID 145013896) is ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile?
The canonical SMILES for ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile is CC.COc1cnc(Oc2cccc(F)c2)c(C#N)c1C.
What is the InChIKey of ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile?
The InChIKey is ZQWHIHJPRJUNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2.C2H6/c1-9-12(7-16)14(17-8-13(9)18-2)19-11-5-3-4-10(15)6-11;1-2/h3-6,8H,1-2H3;1-2H3.
What are the key properties of ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile?
ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile has a molecular weight of 288.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluorophenoxy)-5-methoxy-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 145013896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).