3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile

C10H13N3O2 — CID 103469516

IUPAC3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile
SMILESCCOCCOc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H13N3O2/c1-2-14-5-6-15-10-4-3-8(12)9(7-11)13-10/h3-4H,2,5-6,12H2,1H3
InChIKeyXGMJTVHKTJEDKO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.95
Rot. Bonds5

About 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile

3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile (PubChem CID 103469516) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile
PubChem CID103469516
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile
SMILESCCOCCOc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H13N3O2/c1-2-14-5-6-15-10-4-3-8(12)9(7-11)13-10/h3-4H,2,5-6,12H2,1H3
InChIKeyXGMJTVHKTJEDKO-UHFFFAOYSA-N
XLogP0.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile (CID 103469516) is 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile is CCOCCOc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile?
The InChIKey is XGMJTVHKTJEDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-14-5-6-15-10-4-3-8(12)9(7-11)13-10/h3-4H,2,5-6,12H2,1H3.
What are the key properties of 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile?
3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 103469516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).