5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile

C14H12N2O — CID 107928229

IUPAC5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ccc(Oc2cccnc2C)c(C#N)c1
InChIInChI=1S/C14H12N2O/c1-10-5-6-14(12(8-10)9-15)17-13-4-3-7-16-11(13)2/h3-8H,1-2H3
InChIKeyBRJBHUSVQYTEIP-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.36
Rot. Bonds2

About 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile

5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile (PubChem CID 107928229) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
PubChem CID107928229
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ccc(Oc2cccnc2C)c(C#N)c1
InChIInChI=1S/C14H12N2O/c1-10-5-6-14(12(8-10)9-15)17-13-4-3-7-16-11(13)2/h3-8H,1-2H3
InChIKeyBRJBHUSVQYTEIP-UHFFFAOYSA-N
XLogP3.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile (CID 107928229) is 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile is Cc1ccc(Oc2cccnc2C)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The InChIKey is BRJBHUSVQYTEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-5-6-14(12(8-10)9-15)17-13-4-3-7-16-11(13)2/h3-8H,1-2H3.
What are the key properties of 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 107928229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).