5-Chloroindole-3-carboxylic acid

C9H6ClNO2CAS 10406-05-0195.60 g/mol

Open in Covalent MOL file
ClNHOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H6ClNO2
Molar mass
195.60 g/mol
Exact mass
195.0087 Da
logP
2.52Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
10406-05-0
SMILES
C1=CC2=C(C=C1Cl)C(=CN2)C(=O)O
InChIKey
XUDITEOFEQOSAK-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • 5-Chloro-1H-indole-3-carboxylic acid

Work with 5-Chloroindole-3-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-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-979 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-566 % similar 5-Bromo-1H-indole-3-carboxylic acid10406-06-166 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-264 % similar 5-Methoxy-1H-indole-3-carboxylic acid10242-01-061 % similar Indole-3-carboxylic acid771-50-659 % similar 3-(5-Azaindole)carboxylic acid119248-43-057 % similar 5-Nitroindole-3-carboxylic acid6958-37-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-1H-indole-2-carboxylic acid10517-21-2 5-Chloro-7-methylisatin14389-06-1 6-Chloro-1H-indole-2-carboxylic acid16732-75-5 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-6 7-Chloro-1H-indole-2-carboxylic acid28899-75-4

Elsewhere

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