4-bromo-5-ethoxypyridin-2-amine

C7H9BrN2O — CID 135394478

IUPAC4-bromo-5-ethoxypyridin-2-amine
SMILESCCOc1cnc(N)cc1Br
InChIInChI=1S/C7H9BrN2O/c1-2-11-6-4-10-7(9)3-5(6)8/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyQLORJAAPZGZWHX-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.83
Rot. Bonds2

About 4-bromo-5-ethoxypyridin-2-amine

4-bromo-5-ethoxypyridin-2-amine (PubChem CID 135394478) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 4-bromo-5-ethoxypyridin-2-amine.

Molecular Properties

Compound Name4-bromo-5-ethoxypyridin-2-amine
PubChem CID135394478
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name4-bromo-5-ethoxypyridin-2-amine
SMILESCCOc1cnc(N)cc1Br
InChIInChI=1S/C7H9BrN2O/c1-2-11-6-4-10-7(9)3-5(6)8/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyQLORJAAPZGZWHX-UHFFFAOYSA-N
XLogP1.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-ethoxypyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethoxypyridin-2-amine?
The IUPAC name of 4-bromo-5-ethoxypyridin-2-amine (CID 135394478) is 4-bromo-5-ethoxypyridin-2-amine.
What is the SMILES notation for 4-bromo-5-ethoxypyridin-2-amine?
The canonical SMILES for 4-bromo-5-ethoxypyridin-2-amine is CCOc1cnc(N)cc1Br.
What is the InChIKey of 4-bromo-5-ethoxypyridin-2-amine?
The InChIKey is QLORJAAPZGZWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-2-11-6-4-10-7(9)3-5(6)8/h3-4H,2H2,1H3,(H2,9,10).
What are the key properties of 4-bromo-5-ethoxypyridin-2-amine?
4-bromo-5-ethoxypyridin-2-amine has a molecular weight of 217.07 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethoxypyridin-2-amine is sourced from PubChem (CID 135394478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).