5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine

C11H8BrN5 — CID 63154340

IUPAC5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
SMILESNc1cncc(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C11H8BrN5/c12-7-2-9-11(15-4-7)17-10(16-9)6-1-8(13)5-14-3-6/h1-5H,13H2,(H,15,16,17)
InChIKeyXBCXTAIUXQOYNM-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.36
Rot. Bonds1

About 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine

5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine (PubChem CID 63154340) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
PubChem CID63154340
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
SMILESNc1cncc(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C11H8BrN5/c12-7-2-9-11(15-4-7)17-10(16-9)6-1-8(13)5-14-3-6/h1-5H,13H2,(H,15,16,17)
InChIKeyXBCXTAIUXQOYNM-UHFFFAOYSA-N
XLogP2.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine?
The IUPAC name of 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine (CID 63154340) is 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine?
The canonical SMILES for 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine is Nc1cncc(-c2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine?
The InChIKey is XBCXTAIUXQOYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-7-2-9-11(15-4-7)17-10(16-9)6-1-8(13)5-14-3-6/h1-5H,13H2,(H,15,16,17).
What are the key properties of 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine?
5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine has a molecular weight of 290.12 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine is sourced from PubChem (CID 63154340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).