4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine

C₇H₄Cl₂N₂CAS 5912-18-5187.02 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₄Cl₂N₂
Molar mass: 187.02 g/mol
Exact mass: 185.9752 Da
logP: 2.87Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5912-18-5

SMILES

C1=CNC2=C1C(=CC(=N2)Cl)Cl

InChIKey

LKORXMRYXIGVNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h1-3H,(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, 4,6-dichloro-

Work with 4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine

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-6-chloro-1H-pyrrolo[2,3-b]pyridine942920-50-564 % similar 4-Chloro-7-azaindole55052-28-352 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridine55052-27-248 % similar 2,4-Dichloroquinoline703-61-747 % similar 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-543 % similar 2-Amino-4-chloropyrrolo[2,3-D]pyrimidine84955-31-743 % similar 4,6-Dichloro-1H-indole101495-18-543 % similar 2-Chloro-5H-pyrrolo[2,3-B]pyrazine889447-19-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3,5-dichlorobenzonitrile36764-94-0 5,6-Dichlorobenzimidazole6478-73-5 4,6-Dichloro-1H-pyrrolo[3,2-c]pyridine67139-79-1 4-Amino-3,5-dichlorobenzonitrile78473-00-4 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-4

Elsewhere

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