3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one

C₇H₅BrN₂OCAS 1346809-61-7213.03 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₇H₅BrN₂O
Molar mass: 213.03 g/mol
Exact mass: 211.9585 Da
logP: 1.09Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

1346809-61-7

SMILES

C1C2=C(C(=O)N1)N=CC(=C2)Br

InChIKey

MIVZJHZGDCIYBT-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2O/c8-5-1-4-2-10-7(11)6(4)9-3-5/h1,3H,2H2,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

7H-Pyrrolo[3,4-B]pyridin-7-one, 3-bromo-5,6-dihydro-

Work with 3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-3-fluoropicolinic acid669066-91-540 % similar 5-Bromonicotinohydrazide112193-41-639 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-538 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-038 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-637 % similar 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-036 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-435 % similar 1-(5-Bromo-2-fluoropyridin-3-yl)ethanone1111637-74-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Bromo-4-aza-2-oxindole1190319-62-0 3-Amino-6-bromo-1,2-benzisoxazole177995-39-0

Elsewhere

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