6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid

C₈H₅BrN₂O₂CAS 749849-14-7241.04 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅BrN₂O₂
Molar mass: 241.04 g/mol
Exact mass: 239.9534 Da
logP: 1.79Crippen estimate
Polar surface area: 54.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

749849-14-7

SMILES

C1=CC2=NC(=CN2C=C1Br)C(=O)O

InChIKey

FQBFPVLZLNEQOE-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O2/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h1-4H,(H,12,13)

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Names and synonyms

1 names

6-Bromoimidazo[1,2-A]pyridine-2-carboxylic acid

Work with 6-Bromoimidazo(1,2-a)pyridine-2-carboxylic acid

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

6-Chloroimidazo(1,2-a)pyridine-2-carboxylic acid182181-19-764 % similar 2-Carboxy-6-fluoroimidazo[1,2-A]pyridine367500-94-564 % similar Imidazo[1,2-a]pyridine-2-carboxylic acid64951-08-259 % similar 6-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid944896-42-856 % similar 6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester67625-37-056 % similar 5-Bromopyridine-2-carboxylic acid30766-11-153 % similar 7-Methyl-imidazo[1,2-A]pyridine-2-carboxylic acid80353-94-250 % similar 4-Bromo-2,6-pyridinedicarboxylic Acid162102-81-049 % 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 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-7 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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