4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde

C₈H₅ClN₂OCAS 918515-16-9180.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₅ClN₂O
Molar mass: 180.59 g/mol
Exact mass: 180.0090 Da
logP: 2.03Crippen estimate
Polar surface area: 45.8 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
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

918515-16-9

SMILES

C1=CN=C2C(=C1Cl)C(=CN2)C=O

InChIKey

DYWWVLQMUUZZRJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)

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-3-carboxaldehyde, 4-chloro-

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

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

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-163 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-856 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine1000340-39-555 % similar 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-855 % similar 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine688782-02-755 % similar 4-Chloro-3-iodo-1H-pyrrolo[2,3-B]pyridine869335-73-955 % similar 4-Chloroindole-3-carbaldehyde876-72-255 % similar 7-Azaindole-3-carboxaldehyde4649-09-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2(1H)-quinoxalinone2427-71-6 4-Chloro-1H-pyrrolo[2,3-B]pyridine-5-carbaldehyde958230-19-8

Elsewhere

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