2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol

C13H10BrN3O — CID 21235314

IUPAC2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol
SMILESNc1c(-c2cc(Br)ccc2O)nc2ccccn12
InChIInChI=1S/C13H10BrN3O/c14-8-4-5-10(18)9(7-8)12-13(15)17-6-2-1-3-11(17)16-12/h1-7,18H,15H2
InChIKeyRZISKWBAFQDDNE-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.05
Rot. Bonds1

About 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol

2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol (PubChem CID 21235314) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol.

Molecular Properties

Compound Name2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol
PubChem CID21235314
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol
SMILESNc1c(-c2cc(Br)ccc2O)nc2ccccn12
InChIInChI=1S/C13H10BrN3O/c14-8-4-5-10(18)9(7-8)12-13(15)17-6-2-1-3-11(17)16-12/h1-7,18H,15H2
InChIKeyRZISKWBAFQDDNE-UHFFFAOYSA-N
XLogP3.05
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol?
The IUPAC name of 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol (CID 21235314) is 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol.
What is the SMILES notation for 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol?
The canonical SMILES for 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol is Nc1c(-c2cc(Br)ccc2O)nc2ccccn12.
What is the InChIKey of 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol?
The InChIKey is RZISKWBAFQDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-8-4-5-10(18)9(7-8)12-13(15)17-6-2-1-3-11(17)16-12/h1-7,18H,15H2.
What are the key properties of 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol?
2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol has a molecular weight of 304.15 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromophenol is sourced from PubChem (CID 21235314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).