2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid

C15H11BrN2O3 — CID 82804404

IUPAC2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OCc2cccc(Br)c2)nc2ccccn12
InChIInChI=1S/C15H11BrN2O3/c16-11-5-3-4-10(8-11)9-21-14-13(15(19)20)18-7-2-1-6-12(18)17-14/h1-8H,9H2,(H,19,20)
InChIKeyBIOYFBRTMAQQPR-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.37
Rot. Bonds4

About 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82804404) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82804404
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OCc2cccc(Br)c2)nc2ccccn12
InChIInChI=1S/C15H11BrN2O3/c16-11-5-3-4-10(8-11)9-21-14-13(15(19)20)18-7-2-1-6-12(18)17-14/h1-8H,9H2,(H,19,20)
InChIKeyBIOYFBRTMAQQPR-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 82804404) is 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(OCc2cccc(Br)c2)nc2ccccn12.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BIOYFBRTMAQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-11-5-3-4-10(8-11)9-21-14-13(15(19)20)18-7-2-1-6-12(18)17-14/h1-8H,9H2,(H,19,20).
What are the key properties of 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 347.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82804404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).