3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine

C9H8Br2N4 — CID 130114462

IUPAC3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine
SMILESCc1nccn1-c1ncc(Br)c(N)c1Br
InChIInChI=1S/C9H8Br2N4/c1-5-13-2-3-15(5)9-7(11)8(12)6(10)4-14-9/h2-4H,1H3,(H2,12,14)
InChIKeyIUBGWYRHRBBTBJ-UHFFFAOYSA-N
MW332.00 g/mol
LogP2.68
Rot. Bonds1

About 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine

3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine (PubChem CID 130114462) has the molecular formula C9H8Br2N4 and a molecular weight of 332.00 g/mol. Its IUPAC name is 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine
PubChem CID130114462
Molecular FormulaC9H8Br2N4
Molecular Weight332.00 g/mol
Exact Mass329.91
IUPAC Name3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine
SMILESCc1nccn1-c1ncc(Br)c(N)c1Br
InChIInChI=1S/C9H8Br2N4/c1-5-13-2-3-15(5)9-7(11)8(12)6(10)4-14-9/h2-4H,1H3,(H2,12,14)
InChIKeyIUBGWYRHRBBTBJ-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.00
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine?
The IUPAC name of 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine (CID 130114462) is 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine.
What is the SMILES notation for 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine?
The canonical SMILES for 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine is Cc1nccn1-c1ncc(Br)c(N)c1Br.
What is the InChIKey of 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine?
The InChIKey is IUBGWYRHRBBTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N4/c1-5-13-2-3-15(5)9-7(11)8(12)6(10)4-14-9/h2-4H,1H3,(H2,12,14).
What are the key properties of 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine?
3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine has a molecular weight of 332.00 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(2-methylimidazol-1-yl)pyridin-4-amine is sourced from PubChem (CID 130114462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).