5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C9H3BrClF3N2O2 — CID 86632412

IUPAC5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(C(F)(F)F)cc(Br)n2c1Cl
InChIInChI=1S/C9H3BrClF3N2O2/c10-4-1-3(9(12,13)14)2-5-15-6(8(17)18)7(11)16(4)5/h1-2H,(H,17,18)
InChIKeyGRZSAVNIPIFFKL-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 86632412) has the molecular formula C9H3BrClF3N2O2 and a molecular weight of 343.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID86632412
Molecular FormulaC9H3BrClF3N2O2
Molecular Weight343.49 g/mol
Exact Mass341.90
IUPAC Name5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(C(F)(F)F)cc(Br)n2c1Cl
InChIInChI=1S/C9H3BrClF3N2O2/c10-4-1-3(9(12,13)14)2-5-15-6(8(17)18)7(11)16(4)5/h1-2H,(H,17,18)
InChIKeyGRZSAVNIPIFFKL-UHFFFAOYSA-N
XLogP3.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 86632412) is 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2cc(C(F)(F)F)cc(Br)n2c1Cl.
What is the InChIKey of 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is GRZSAVNIPIFFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3N2O2/c10-4-1-3(9(12,13)14)2-5-15-6(8(17)18)7(11)16(4)5/h1-2H,(H,17,18).
What are the key properties of 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 343.49 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 86632412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).