chempirical

5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid

C8H5BrN2O2CAS 849068-61-7241.04 g/mol

Open in Covalent MOL file
NHNOHOBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H5BrN2O2
Molar mass
241.04 g/mol
Exact mass
239.9534 Da
logP
2.02Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
849068-61-7
SMILES
C1=C(C=NC2=C1C(=CN2)C(=O)O)Br
InChIKey
AFVRLQXVTZZPGE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11)(H,12,13)

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Work with 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid

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Similar compounds

2,5-Dibromo-3-pyridinecarboxylic acid29312-99-058 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-157 % similar 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-357 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-456 % similar 5-Bromo-2-chloronicotinic acid29241-65-455 % similar 5-Bromo-2-fluoropyridine-3-carboxylic acid29241-66-555 % similar 2-Amino-5-bromonicotinic acid52833-94-055 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-452 % similar

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

Same formula

5-Bromo-1H-indazole-3-carboxylic acid1077-94-7 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-8 6-Bromo-1H-indazole-3-carboxylic acid660823-36-9 6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid749849-14-7 6-Bromoh-pyrazolo[1,5-A]pyridine-2-carboxylic acid876379-74-7 6-Bromo-2,4(1H,3H)-quinazolinedione88145-89-5 4-Bromo-1H-indazole-3-carboxylic acid885521-80-2 4-Bromo-1H-indazole-6-carboxylic acid885523-43-3

Elsewhere

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