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

C13H19BrN4 — CID 79302089

IUPAC6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCCC(C)CC(C)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C13H19BrN4/c1-4-8(2)5-9(3)18-12-11(17-13(18)15)6-10(14)7-16-12/h6-9H,4-5H2,1-3H3,(H2,15,17)
InChIKeyDLKDHGWRSVKBQH-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.77
Rot. Bonds4

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

6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79302089) has the molecular formula C13H19BrN4 and a molecular weight of 311.23 g/mol. Its IUPAC name is 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79302089
Molecular FormulaC13H19BrN4
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCCC(C)CC(C)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C13H19BrN4/c1-4-8(2)5-9(3)18-12-11(17-13(18)15)6-10(14)7-16-12/h6-9H,4-5H2,1-3H3,(H2,15,17)
InChIKeyDLKDHGWRSVKBQH-UHFFFAOYSA-N
XLogP3.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine (CID 79302089) is 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine is CCC(C)CC(C)n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is DLKDHGWRSVKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4/c1-4-8(2)5-9(3)18-12-11(17-13(18)15)6-10(14)7-16-12/h6-9H,4-5H2,1-3H3,(H2,15,17).
What are the key properties of 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 311.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79302089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).