3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile

C14H12N2O2 — CID 162731517

IUPAC3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(Oc2ccccc2)c1C
InChIInChI=1S/C14H12N2O2/c1-10-13(18-11-6-4-3-5-7-11)9-16-12(8-15)14(10)17-2/h3-7,9H,1-2H3
InChIKeyQOICUKVONKESHQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.06
Rot. Bonds3

About 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile

3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile (PubChem CID 162731517) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile
PubChem CID162731517
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile
SMILESCOc1c(C#N)ncc(Oc2ccccc2)c1C
InChIInChI=1S/C14H12N2O2/c1-10-13(18-11-6-4-3-5-7-11)9-16-12(8-15)14(10)17-2/h3-7,9H,1-2H3
InChIKeyQOICUKVONKESHQ-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile?
The IUPAC name of 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile (CID 162731517) is 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile?
The canonical SMILES for 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile is COc1c(C#N)ncc(Oc2ccccc2)c1C.
What is the InChIKey of 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile?
The InChIKey is QOICUKVONKESHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-13(18-11-6-4-3-5-7-11)9-16-12(8-15)14(10)17-2/h3-7,9H,1-2H3.
What are the key properties of 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile?
3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile 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 3-methoxy-4-methyl-5-phenoxypyridine-2-carbonitrile is sourced from PubChem (CID 162731517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).