2-methoxypyridine-3,5-dicarbonitrile

C8H5N3O — CID 84650868

IUPAC2-methoxypyridine-3,5-dicarbonitrile
SMILESCOc1ncc(C#N)cc1C#N
InChIInChI=1S/C8H5N3O/c1-12-8-7(4-10)2-6(3-9)5-11-8/h2,5H,1H3
InChIKeyBTIYFDARJSXLRD-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.83
Rot. Bonds1

About 2-methoxypyridine-3,5-dicarbonitrile

2-methoxypyridine-3,5-dicarbonitrile (PubChem CID 84650868) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-methoxypyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-methoxypyridine-3,5-dicarbonitrile
PubChem CID84650868
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name2-methoxypyridine-3,5-dicarbonitrile
SMILESCOc1ncc(C#N)cc1C#N
InChIInChI=1S/C8H5N3O/c1-12-8-7(4-10)2-6(3-9)5-11-8/h2,5H,1H3
InChIKeyBTIYFDARJSXLRD-UHFFFAOYSA-N
XLogP0.83
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine-3,5-dicarbonitrile?
The IUPAC name of 2-methoxypyridine-3,5-dicarbonitrile (CID 84650868) is 2-methoxypyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-methoxypyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-methoxypyridine-3,5-dicarbonitrile is COc1ncc(C#N)cc1C#N.
What is the InChIKey of 2-methoxypyridine-3,5-dicarbonitrile?
The InChIKey is BTIYFDARJSXLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c1-12-8-7(4-10)2-6(3-9)5-11-8/h2,5H,1H3.
What are the key properties of 2-methoxypyridine-3,5-dicarbonitrile?
2-methoxypyridine-3,5-dicarbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine-3,5-dicarbonitrile is sourced from PubChem (CID 84650868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).