3,5-dibromo-2-propoxypyridin-4-amine

C8H10Br2N2O — CID 130114443

IUPAC3,5-dibromo-2-propoxypyridin-4-amine
SMILESCCCOc1ncc(Br)c(N)c1Br
InChIInChI=1S/C8H10Br2N2O/c1-2-3-13-8-6(10)7(11)5(9)4-12-8/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyHOYQLVRMBKXBBS-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.98
Rot. Bonds3

About 3,5-dibromo-2-propoxypyridin-4-amine

3,5-dibromo-2-propoxypyridin-4-amine (PubChem CID 130114443) has the molecular formula C8H10Br2N2O and a molecular weight of 309.99 g/mol. Its IUPAC name is 3,5-dibromo-2-propoxypyridin-4-amine.

Molecular Properties

Compound Name3,5-dibromo-2-propoxypyridin-4-amine
PubChem CID130114443
Molecular FormulaC8H10Br2N2O
Molecular Weight309.99 g/mol
Exact Mass307.92
IUPAC Name3,5-dibromo-2-propoxypyridin-4-amine
SMILESCCCOc1ncc(Br)c(N)c1Br
InChIInChI=1S/C8H10Br2N2O/c1-2-3-13-8-6(10)7(11)5(9)4-12-8/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyHOYQLVRMBKXBBS-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-propoxypyridin-4-amine?
The IUPAC name of 3,5-dibromo-2-propoxypyridin-4-amine (CID 130114443) is 3,5-dibromo-2-propoxypyridin-4-amine.
What is the SMILES notation for 3,5-dibromo-2-propoxypyridin-4-amine?
The canonical SMILES for 3,5-dibromo-2-propoxypyridin-4-amine is CCCOc1ncc(Br)c(N)c1Br.
What is the InChIKey of 3,5-dibromo-2-propoxypyridin-4-amine?
The InChIKey is HOYQLVRMBKXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2O/c1-2-3-13-8-6(10)7(11)5(9)4-12-8/h4H,2-3H2,1H3,(H2,11,12).
What are the key properties of 3,5-dibromo-2-propoxypyridin-4-amine?
3,5-dibromo-2-propoxypyridin-4-amine has a molecular weight of 309.99 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-propoxypyridin-4-amine is sourced from PubChem (CID 130114443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).