chempirical

6-Chloro-1H-pyrrolo[2,3-B]pyridine

C7H5ClN2CAS 55052-27-2152.58 g/mol

Open in Covalent MOL file
NHNCl
Aryl halide

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
logP
2.22Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55052-27-2
SMILES
C1=CC(=NC2=C1C=CN2)Cl
InChIKey
DSCOSIUAQUDGJM-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-5-3-4-9-7(5)10-6/h1-4H,(H,9,10)

Weigh it out

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Work with 6-Chloro-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

6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-753 % similar 6-Methyl-1H-pyrrolo[2,3-b]pyridine824-51-153 % similar 6-Fluoro-1H-pyrrolo[2,3-b]pyridine898746-42-453 % similar 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-352 % similar 6-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-952 % similar 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-548 % similar 4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine5912-18-548 % similar 6-Methoxy-1H-pyrrolo[2,3-b]pyridine896722-53-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9

Elsewhere

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