2-amino-4-ethoxypyridine-3-carbonitrile

C8H9N3O — CID 13463295

IUPAC2-amino-4-ethoxypyridine-3-carbonitrile
SMILESCCOc1ccnc(N)c1C#N
InChIInChI=1S/C8H9N3O/c1-2-12-7-3-4-11-8(10)6(7)5-9/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyVUINDQUUHOFWSQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.93
Rot. Bonds2

About 2-amino-4-ethoxypyridine-3-carbonitrile

2-amino-4-ethoxypyridine-3-carbonitrile (PubChem CID 13463295) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-amino-4-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethoxypyridine-3-carbonitrile
PubChem CID13463295
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-amino-4-ethoxypyridine-3-carbonitrile
SMILESCCOc1ccnc(N)c1C#N
InChIInChI=1S/C8H9N3O/c1-2-12-7-3-4-11-8(10)6(7)5-9/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyVUINDQUUHOFWSQ-UHFFFAOYSA-N
XLogP0.93
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxypyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-ethoxypyridine-3-carbonitrile (CID 13463295) is 2-amino-4-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-ethoxypyridine-3-carbonitrile is CCOc1ccnc(N)c1C#N.
What is the InChIKey of 2-amino-4-ethoxypyridine-3-carbonitrile?
The InChIKey is VUINDQUUHOFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-12-7-3-4-11-8(10)6(7)5-9/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of 2-amino-4-ethoxypyridine-3-carbonitrile?
2-amino-4-ethoxypyridine-3-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 13463295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).