5-bromo-6-(dimethoxymethyl)pyridin-2-amine

C8H11BrN2O2 — CID 138608529

IUPAC5-bromo-6-(dimethoxymethyl)pyridin-2-amine
SMILESCOC(OC)c1nc(N)ccc1Br
InChIInChI=1S/C8H11BrN2O2/c1-12-8(13-2)7-5(9)3-4-6(10)11-7/h3-4,8H,1-2H3,(H2,10,11)
InChIKeyWLGZKZAMGRVBQT-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.72
Rot. Bonds3

About 5-bromo-6-(dimethoxymethyl)pyridin-2-amine

5-bromo-6-(dimethoxymethyl)pyridin-2-amine (PubChem CID 138608529) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-6-(dimethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-(dimethoxymethyl)pyridin-2-amine
PubChem CID138608529
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-6-(dimethoxymethyl)pyridin-2-amine
SMILESCOC(OC)c1nc(N)ccc1Br
InChIInChI=1S/C8H11BrN2O2/c1-12-8(13-2)7-5(9)3-4-6(10)11-7/h3-4,8H,1-2H3,(H2,10,11)
InChIKeyWLGZKZAMGRVBQT-UHFFFAOYSA-N
XLogP1.72
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(dimethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-(dimethoxymethyl)pyridin-2-amine (CID 138608529) is 5-bromo-6-(dimethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-(dimethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-(dimethoxymethyl)pyridin-2-amine is COC(OC)c1nc(N)ccc1Br.
What is the InChIKey of 5-bromo-6-(dimethoxymethyl)pyridin-2-amine?
The InChIKey is WLGZKZAMGRVBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-12-8(13-2)7-5(9)3-4-6(10)11-7/h3-4,8H,1-2H3,(H2,10,11).
What are the key properties of 5-bromo-6-(dimethoxymethyl)pyridin-2-amine?
5-bromo-6-(dimethoxymethyl)pyridin-2-amine has a molecular weight of 247.09 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(dimethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 138608529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).