3-amino-6-propoxypyridine-2-carbonitrile

C9H11N3O — CID 103469634

IUPAC3-amino-6-propoxypyridine-2-carbonitrile
SMILESCCCOc1ccc(N)c(C#N)n1
InChIInChI=1S/C9H11N3O/c1-2-5-13-9-4-3-7(11)8(6-10)12-9/h3-4H,2,5,11H2,1H3
InChIKeyBFINYEPUCDWTAT-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-6-propoxypyridine-2-carbonitrile

3-amino-6-propoxypyridine-2-carbonitrile (PubChem CID 103469634) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-amino-6-propoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-propoxypyridine-2-carbonitrile
PubChem CID103469634
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-amino-6-propoxypyridine-2-carbonitrile
SMILESCCCOc1ccc(N)c(C#N)n1
InChIInChI=1S/C9H11N3O/c1-2-5-13-9-4-3-7(11)8(6-10)12-9/h3-4H,2,5,11H2,1H3
InChIKeyBFINYEPUCDWTAT-UHFFFAOYSA-N
XLogP1.32
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-propoxypyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-propoxypyridine-2-carbonitrile (CID 103469634) is 3-amino-6-propoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-propoxypyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-propoxypyridine-2-carbonitrile is CCCOc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-propoxypyridine-2-carbonitrile?
The InChIKey is BFINYEPUCDWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-5-13-9-4-3-7(11)8(6-10)12-9/h3-4H,2,5,11H2,1H3.
What are the key properties of 3-amino-6-propoxypyridine-2-carbonitrile?
3-amino-6-propoxypyridine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-propoxypyridine-2-carbonitrile is sourced from PubChem (CID 103469634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).