3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid

C17H10BrN3O2 — CID 68601300

IUPAC3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1
InChIInChI=1S/C17H10BrN3O2/c18-12-3-1-2-10-4-5-13(20-16(10)12)14-9-19-15-8-11(17(22)23)6-7-21(14)15/h1-9H,(H,22,23)
InChIKeyVEIQOOISZPMFCW-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.01
Rot. Bonds2

About 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid

3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 68601300) has the molecular formula C17H10BrN3O2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID68601300
Molecular FormulaC17H10BrN3O2
Molecular Weight368.19 g/mol
Exact Mass367.00
IUPAC Name3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1
InChIInChI=1S/C17H10BrN3O2/c18-12-3-1-2-10-4-5-13(20-16(10)12)14-9-19-15-8-11(17(22)23)6-7-21(14)15/h1-9H,(H,22,23)
InChIKeyVEIQOOISZPMFCW-UHFFFAOYSA-N
XLogP4.01
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid (CID 68601300) is 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1.
What is the InChIKey of 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is VEIQOOISZPMFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2/c18-12-3-1-2-10-4-5-13(20-16(10)12)14-9-19-15-8-11(17(22)23)6-7-21(14)15/h1-9H,(H,22,23).
What are the key properties of 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid?
3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 368.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 68601300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).