3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile

C13H9FN2O — CID 113269475

IUPAC3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(F)c(Oc2cnccc2C#N)c1
InChIInChI=1S/C13H9FN2O/c1-9-2-3-11(14)12(6-9)17-13-8-16-5-4-10(13)7-15/h2-6,8H,1H3
InChIKeySJCPEZRHYPUUOV-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.19
Rot. Bonds2

About 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile

3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile (PubChem CID 113269475) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
PubChem CID113269475
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
SMILESCc1ccc(F)c(Oc2cnccc2C#N)c1
InChIInChI=1S/C13H9FN2O/c1-9-2-3-11(14)12(6-9)17-13-8-16-5-4-10(13)7-15/h2-6,8H,1H3
InChIKeySJCPEZRHYPUUOV-UHFFFAOYSA-N
XLogP3.19
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile (CID 113269475) is 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile is Cc1ccc(F)c(Oc2cnccc2C#N)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile?
The InChIKey is SJCPEZRHYPUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c1-9-2-3-11(14)12(6-9)17-13-8-16-5-4-10(13)7-15/h2-6,8H,1H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile?
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile has a molecular weight of 228.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 113269475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).