4-Chloro-1H-pyrrolo(2,3-b)pyridine-5-carboxylic acid

C₈H₅ClN₂O₂CAS 920966-03-6196.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅ClN₂O₂
Molar mass: 196.59 g/mol
Exact mass: 196.0040 Da
logP: 1.91Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

920966-03-6

SMILES

C1=CNC2=NC=C(C(=C21)Cl)C(=O)O

InChIKey

SJZMFAGWKZNYPX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClN2O2/c9-6-4-1-2-10-7(4)11-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

1 names

1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid, 4-chloro-

Work with 4-Chloro-1H-pyrrolo(2,3-b)pyridine-5-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

1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid479553-01-062 % similar 4-Chloro-1H-pyrrolo[2,3-B]pyridine-5-carbaldehyde958230-19-850 % similar Indole-4-carboxylic acid2124-55-249 % similar 4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile920966-02-547 % similar 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-345 % similar 2,3-Dichloropyridine-4-carboxylic acid184416-84-045 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-744 % similar 1H-Indole-7-carboxylic acid1670-83-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Chloro-1H-indazole-3-carboxylic acid129295-32-5 6-Chloroimidazo(1,2-a)pyridine-2-carboxylic acid182181-19-7 5-Chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid800401-68-7

Elsewhere

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