4,5-dimethoxypyridine-2-carbonitrile

C8H8N2O2 — CID 75481685

IUPAC4,5-dimethoxypyridine-2-carbonitrile
SMILESCOc1cnc(C#N)cc1OC
InChIInChI=1S/C8H8N2O2/c1-11-7-3-6(4-9)10-5-8(7)12-2/h3,5H,1-2H3
InChIKeyPUBFHOOQVANHJL-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.97
Rot. Bonds2

About 4,5-dimethoxypyridine-2-carbonitrile

4,5-dimethoxypyridine-2-carbonitrile (PubChem CID 75481685) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4,5-dimethoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4,5-dimethoxypyridine-2-carbonitrile
PubChem CID75481685
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4,5-dimethoxypyridine-2-carbonitrile
SMILESCOc1cnc(C#N)cc1OC
InChIInChI=1S/C8H8N2O2/c1-11-7-3-6(4-9)10-5-8(7)12-2/h3,5H,1-2H3
InChIKeyPUBFHOOQVANHJL-UHFFFAOYSA-N
XLogP0.97
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxypyridine-2-carbonitrile?
The IUPAC name of 4,5-dimethoxypyridine-2-carbonitrile (CID 75481685) is 4,5-dimethoxypyridine-2-carbonitrile.
What is the SMILES notation for 4,5-dimethoxypyridine-2-carbonitrile?
The canonical SMILES for 4,5-dimethoxypyridine-2-carbonitrile is COc1cnc(C#N)cc1OC.
What is the InChIKey of 4,5-dimethoxypyridine-2-carbonitrile?
The InChIKey is PUBFHOOQVANHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-7-3-6(4-9)10-5-8(7)12-2/h3,5H,1-2H3.
What are the key properties of 4,5-dimethoxypyridine-2-carbonitrile?
4,5-dimethoxypyridine-2-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxypyridine-2-carbonitrile is sourced from PubChem (CID 75481685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).