2H,3H,4H-pyrido[1,2-a]pyrimidine hydrobromide

• ChemBase ID: 167725
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: c1ccn2c(=NCCC2)c1.Br
• Canonical SMILES: C1CN=c2n(C1)cccc2.Br
• InChI: InChI=1S/C8H10N2.BrH/c1-2-6-10-7-3-5-9-8(10)4-1;/h1-2,4,6H,3,5,7H2;1H
• InChIKey: QIJIQJJOUYATTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H,4H-pyrido[1,2-a]pyrimidine hydrobromide
• IUPAC Traditional name: 2H,3H,4H-pyrido[1,2-a]pyrimidine hydrobromide
• Synonyms: 2,3-Dihydro-imidazo[1,2-a]pyridine Monohydrobromide; 2,3-Dihydro-imidazo[1,2-a]pyridine Hydrobromide

Database IDs

• CAS Number: 38772-14-4
• PubChem SID: 162261858
• PubChem CID: 71316203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.038053
• LogD (pH = 7.4): -1.7689248
• Log P: 0.37261033
• Molar Refractivity: 43.1902 cm^3
• Polarizability: 15.390152 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform (partial); Methanol; Water
• Apperance: Grey Solid