5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine

C11H17BrN2O2 — CID 106664894

IUPAC5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
SMILESCOC(C)(C)CCOc1ncc(N)cc1Br
InChIInChI=1S/C11H17BrN2O2/c1-11(2,15-3)4-5-16-10-9(12)6-8(13)7-14-10/h6-7H,4-5,13H2,1-3H3
InChIKeyKDYUQJUNTPALTR-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.62
Rot. Bonds5

About 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine

5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine (PubChem CID 106664894) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
PubChem CID106664894
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
SMILESCOC(C)(C)CCOc1ncc(N)cc1Br
InChIInChI=1S/C11H17BrN2O2/c1-11(2,15-3)4-5-16-10-9(12)6-8(13)7-14-10/h6-7H,4-5,13H2,1-3H3
InChIKeyKDYUQJUNTPALTR-UHFFFAOYSA-N
XLogP2.62
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine (CID 106664894) is 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine is COC(C)(C)CCOc1ncc(N)cc1Br.
What is the InChIKey of 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine?
The InChIKey is KDYUQJUNTPALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-11(2,15-3)4-5-16-10-9(12)6-8(13)7-14-10/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine?
5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine has a molecular weight of 289.17 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine is sourced from PubChem (CID 106664894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).