6-ethoxypyridin-1-ium-2-amine

C7H11N2O+ — CID 6946399

IUPAC6-ethoxypyridin-1-ium-2-amine
SMILESCCOc1cccc(N)[nH+]1
InChIInChI=1S/C7H10N2O/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3,(H2,8,9)/p+1
InChIKeyVRZIITVWIJSXOA-UHFFFAOYSA-O
MW139.18 g/mol
LogP0.48
Rot. Bonds2

About 6-ethoxypyridin-1-ium-2-amine

6-ethoxypyridin-1-ium-2-amine (PubChem CID 6946399) has the molecular formula C7H11N2O+ and a molecular weight of 139.18 g/mol. Its IUPAC name is 6-ethoxypyridin-1-ium-2-amine.

Molecular Properties

Compound Name6-ethoxypyridin-1-ium-2-amine
PubChem CID6946399
Molecular FormulaC7H11N2O+
Molecular Weight139.18 g/mol
Exact Mass139.09
IUPAC Name6-ethoxypyridin-1-ium-2-amine
SMILESCCOc1cccc(N)[nH+]1
InChIInChI=1S/C7H10N2O/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3,(H2,8,9)/p+1
InChIKeyVRZIITVWIJSXOA-UHFFFAOYSA-O
XLogP0.48
TPSA49.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxypyridin-1-ium-2-amine?
The IUPAC name of 6-ethoxypyridin-1-ium-2-amine (CID 6946399) is 6-ethoxypyridin-1-ium-2-amine.
What is the SMILES notation for 6-ethoxypyridin-1-ium-2-amine?
The canonical SMILES for 6-ethoxypyridin-1-ium-2-amine is CCOc1cccc(N)[nH+]1.
What is the InChIKey of 6-ethoxypyridin-1-ium-2-amine?
The InChIKey is VRZIITVWIJSXOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3,(H2,8,9)/p+1.
What are the key properties of 6-ethoxypyridin-1-ium-2-amine?
6-ethoxypyridin-1-ium-2-amine has a molecular weight of 139.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxypyridin-1-ium-2-amine is sourced from PubChem (CID 6946399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).