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

C13H9FN2O — CID 102981648

IUPAC4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1ccc(F)cc1Oc1ccnc(C#N)c1
InChIInChI=1S/C13H9FN2O/c1-9-2-3-10(14)6-13(9)17-12-4-5-16-11(7-12)8-15/h2-7H,1H3
InChIKeySLAOGCZJFUYGLG-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.19
Rot. Bonds2

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

4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 102981648) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
PubChem CID102981648
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1ccc(F)cc1Oc1ccnc(C#N)c1
InChIInChI=1S/C13H9FN2O/c1-9-2-3-10(14)6-13(9)17-12-4-5-16-11(7-12)8-15/h2-7H,1H3
InChIKeySLAOGCZJFUYGLG-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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Related Compounds

4-(2,3-dimethylphenoxy)pyridine-2-carbonitrile
CID 62935721
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
4-(5-fluoro-2-methylphenoxy)-2-nitrobenzonitrile
CID 102981647
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
4-(3-methyl-2-nitrophenoxy)pyridine-2-carbonitrile
CID 55155911
4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbonitrile
CID 81341566
4-(4-fluoro-N-methylanilino)pyridine-2-carbonitrile
CID 62938149
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178
5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
CID 102980272
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile (CID 102981648) is 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile is Cc1ccc(F)cc1Oc1ccnc(C#N)c1.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is SLAOGCZJFUYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c1-9-2-3-10(14)6-13(9)17-12-4-5-16-11(7-12)8-15/h2-7H,1H3.
What are the key properties of 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile?
4-(5-fluoro-2-methylphenoxy)pyridine-2-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 4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 102981648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).