2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

C15H12BrN3O2 — CID 63529012

IUPAC2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(Br)ccc1Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C15H12BrN3O2/c1-9-8-10(16)5-6-11(9)17-14-13(15(20)21)19-7-3-2-4-12(19)18-14/h2-8,17H,1H3,(H,20,21)
InChIKeyOHJBYYFOIIZCDN-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 63529012) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID63529012
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(Br)ccc1Nc1nc2ccccn2c1C(=O)O
InChIInChI=1S/C15H12BrN3O2/c1-9-8-10(16)5-6-11(9)17-14-13(15(20)21)19-7-3-2-4-12(19)18-14/h2-8,17H,1H3,(H,20,21)
InChIKeyOHJBYYFOIIZCDN-UHFFFAOYSA-N
XLogP3.85
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 63529012) is 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cc(Br)ccc1Nc1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OHJBYYFOIIZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-9-8-10(16)5-6-11(9)17-14-13(15(20)21)19-7-3-2-4-12(19)18-14/h2-8,17H,1H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 346.18 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 63529012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).