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

C14H11BrN2O3 — CID 13259020

IUPAC2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1ccc2nc(-c3ccc(Br)o3)c(CC(=O)O)n2c1
InChIInChI=1S/C14H11BrN2O3/c1-8-2-5-12-16-14(10-3-4-11(15)20-10)9(6-13(18)19)17(12)7-8/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyGOPCZHQRWDJLPC-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.29
Rot. Bonds3

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

2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 13259020) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID13259020
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCc1ccc2nc(-c3ccc(Br)o3)c(CC(=O)O)n2c1
InChIInChI=1S/C14H11BrN2O3/c1-8-2-5-12-16-14(10-3-4-11(15)20-10)9(6-13(18)19)17(12)7-8/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyGOPCZHQRWDJLPC-UHFFFAOYSA-N
XLogP3.29
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.29
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-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (CID 13259020) is 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is Cc1ccc2nc(-c3ccc(Br)o3)c(CC(=O)O)n2c1.
What is the InChIKey of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is GOPCZHQRWDJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-8-2-5-12-16-14(10-3-4-11(15)20-10)9(6-13(18)19)17(12)7-8/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 335.16 g/mol, XLogP of 3.29, 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-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 13259020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).