2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid

C13H8BrClN2O3 — CID 13259019

IUPAC2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12
InChIInChI=1S/C13H8BrClN2O3/c14-10-3-2-9(20-10)13-8(5-12(18)19)17-6-7(15)1-4-11(17)16-13/h1-4,6H,5H2,(H,18,19)
InChIKeyZBFMNVGUCZNQNW-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.64
Rot. Bonds3

About 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid

2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 13259019) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID13259019
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12
InChIInChI=1S/C13H8BrClN2O3/c14-10-3-2-9(20-10)13-8(5-12(18)19)17-6-7(15)1-4-11(17)16-13/h1-4,6H,5H2,(H,18,19)
InChIKeyZBFMNVGUCZNQNW-UHFFFAOYSA-N
XLogP3.64
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid (CID 13259019) is 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid is O=C(O)Cc1c(-c2ccc(Br)o2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is ZBFMNVGUCZNQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-10-3-2-9(20-10)13-8(5-12(18)19)17-6-7(15)1-4-11(17)16-13/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 355.58 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromofuran-2-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 13259019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).