2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride

C9H9ClN4O — CID 155558896

IUPAC2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride
SMILESCCOc1nc(N)c(C#N)cc1C#N.Cl
InChIInChI=1S/C9H8N4O.ClH/c1-2-14-9-7(5-11)3-6(4-10)8(12)13-9;/h3H,2H2,1H3,(H2,12,13);1H
InChIKeyBLZZRNQQJBLFOP-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.23
Rot. Bonds2

About 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride

2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride (PubChem CID 155558896) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride
PubChem CID155558896
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride
SMILESCCOc1nc(N)c(C#N)cc1C#N.Cl
InChIInChI=1S/C9H8N4O.ClH/c1-2-14-9-7(5-11)3-6(4-10)8(12)13-9;/h3H,2H2,1H3,(H2,12,13);1H
InChIKeyBLZZRNQQJBLFOP-UHFFFAOYSA-N
XLogP1.23
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride?
The IUPAC name of 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride (CID 155558896) is 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride?
The canonical SMILES for 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride is CCOc1nc(N)c(C#N)cc1C#N.Cl.
What is the InChIKey of 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride?
The InChIKey is BLZZRNQQJBLFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O.ClH/c1-2-14-9-7(5-11)3-6(4-10)8(12)13-9;/h3H,2H2,1H3,(H2,12,13);1H.
What are the key properties of 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride?
2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride has a molecular weight of 224.65 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxypyridine-3,5-dicarbonitrile;hydrochloride is sourced from PubChem (CID 155558896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).