2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-B]pyridine

C₇H₇ClN₂CAS 810668-57-6154.60 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₇H₇ClN₂
Molar mass: 154.60 g/mol
Exact mass: 154.0298 Da
logP: 1.34Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 1 / 2
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

810668-57-6

SMILES

C1C2=C(CN1)N=C(C=C2)Cl

InChIKey

MSLXPRCFQNRAPN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2/c8-7-2-1-5-3-9-4-6(5)10-7/h1-2,9H,3-4H2

Weigh it out

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Work with 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-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

2-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride766545-20-464 % similar (2,6-Dichloro-3-pyridinyl)methanol55304-90-041 % similar 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-939 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one220896-14-039 % similar 2-Chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-1,6-naphthyridine210539-04-139 % similar 2-Chloro-5,6,7,8-tetrahydro-pyrido[3,4-D]pyrimidine1196153-06-638 % similar 2,6-Dichloropyridine2402-78-037 % similar 2,9-Dichloro-1,10-phenanthroline29176-55-437 % similar

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

Same formula

1-(Cyanomethyl)pyridinium chloride17281-59-3 4-Pyridylacetonitrile hydrochloride92333-25-0

Elsewhere

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