CAS 838-32-4 2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine (HCID 717644)

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Basic information

CAS: 838-32-4
Standard SMILES: Cc1ccn2cc(-c3ccc(Br)cc3)nc2c1
InChIKey: AFYSTHGPBTXVDY-UHFFFAOYSA-N
Molecular formula: C14H11BrN2
Average molar mass: 287.15 g/mol
Monoisotopic mass: 286.01056045

Names & identifiers

Preferred name: 2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine
IUPAC: 2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridine
English name: 2-(4-Bromo-phenyl)-7-methyl-imidazo[1,2-a]pyridine
Molecular formula: C14H11BrN2
Molecular weight: 287.15

Names & synonyms

2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridine838-32-4MFCD004447702-[4-Bromophenyl]-7-methylimidazo[1,2-a]pyridinestarbld0008843Oprea1_233533Oprea1_537683MLS000711805SCHEMBL972809CHEMBL1517072AFYSTHGPBTXVDY-UHFFFAOYSA-NDTXSID201320233

Show more names

2-(4-Bromo-phenyl)-7-methyl-imidazo[1,2-a]pyridineImidazo[1,2-a]pyridine, 2-(4-bromophenyl)-7-methyl-

HMS2769L03CCG-19198AKOS000591430SMR000281572CS-0192242ST50014750E89452AE-848/30896041

Database identifiers

CAS: 838-32-4
PubChem CID: 717644
DTXSID: DTXSID201320233
ChEMBL: CHEMBL1517072
Nikkaji: J749.543I

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 17.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 263

Experimental & physicochemical properties

Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 210 °C · 210 °C
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
form: solid
pka: 7.11 · 7.11±0.50(Predicted)
InChI: 1S/C14H11BrN2/c1-10-6-7-17-9-13(16-14(17)8-10)11-2-4-12(15)5-3-11/h2-9H,1H3
InChIKey: AFYSTHGPBTXVDY-UHFFFAOYSA-N
SMILES: BrC1=CC=C(C=C1)C2=CN3C(C=C(C)C=C3)=N2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501