2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

C14H9BrClN3O2 — CID 81280290

IUPAC2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2cc(Cl)ccc2Br)nc2ccccn12
InChIInChI=1S/C14H9BrClN3O2/c15-9-5-4-8(16)7-10(9)17-13-12(14(20)21)19-6-2-1-3-11(19)18-13/h1-7,17H,(H,20,21)
InChIKeyOTSRHTCXJGCZMB-UHFFFAOYSA-N
MW366.60 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid

2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 81280290) has the molecular formula C14H9BrClN3O2 and a molecular weight of 366.60 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID81280290
Molecular FormulaC14H9BrClN3O2
Molecular Weight366.60 g/mol
Exact Mass364.96
IUPAC Name2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2cc(Cl)ccc2Br)nc2ccccn12
InChIInChI=1S/C14H9BrClN3O2/c15-9-5-4-8(16)7-10(9)17-13-12(14(20)21)19-6-2-1-3-11(19)18-13/h1-7,17H,(H,20,21)
InChIKeyOTSRHTCXJGCZMB-UHFFFAOYSA-N
XLogP4.19
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63537134
2-(4-bromo-2-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63529012
2-(3,4-dichloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63536957
2-(4-chloro-3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63538999
2-(2-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 107645118
2-[(4-methyl-3-pyridinyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63327723
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63528502
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 81280290) is 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(Nc2cc(Cl)ccc2Br)nc2ccccn12.
What is the InChIKey of 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OTSRHTCXJGCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O2/c15-9-5-4-8(16)7-10(9)17-13-12(14(20)21)19-6-2-1-3-11(19)18-13/h1-7,17H,(H,20,21).
What are the key properties of 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid?
2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 366.60 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloroanilino)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 81280290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).