4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile

C14H12N2O2 — CID 81306225

IUPAC4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCOc1ccc(C#N)c(Oc2cccnc2C)c1
InChIInChI=1S/C14H12N2O2/c1-10-13(4-3-7-16-10)18-14-8-12(17-2)6-5-11(14)9-15/h3-8H,1-2H3
InChIKeyPZZKXLDLKMJHKY-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.06
Rot. Bonds3

About 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile

4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile (PubChem CID 81306225) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
PubChem CID81306225
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCOc1ccc(C#N)c(Oc2cccnc2C)c1
InChIInChI=1S/C14H12N2O2/c1-10-13(4-3-7-16-10)18-14-8-12(17-2)6-5-11(14)9-15/h3-8H,1-2H3
InChIKeyPZZKXLDLKMJHKY-UHFFFAOYSA-N
XLogP3.06
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 107928229
[4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 81300033
4-methoxy-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 81296767
2-(4-methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
4-methoxy-2-naphthalen-2-yloxybenzonitrile
CID 81297139
4-methoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzonitrile
CID 81305880
3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile
CID 102702690
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
2-(3-iodophenoxy)-4-methoxybenzonitrile
CID 81305875
5-methoxy-2-pyrimidin-2-ylbenzonitrile
CID 121010677
4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile (CID 81306225) is 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile is COc1ccc(C#N)c(Oc2cccnc2C)c1.
What is the InChIKey of 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
The InChIKey is PZZKXLDLKMJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-13(4-3-7-16-10)18-14-8-12(17-2)6-5-11(14)9-15/h3-8H,1-2H3.
What are the key properties of 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile?
4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 81306225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).