5-Chloro-1H-pyrazolo(4,3-b)pyridine

C₆H₄ClN₃CAS 94220-45-8153.57 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₄ClN₃
Molar mass: 153.57 g/mol
Exact mass: 153.0094 Da
logP: 1.61Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

94220-45-8

SMILES

C1=CC(=NC2=C1NN=C2)Cl

InChIKey

PYZUYYOYVZFJGX-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClN3/c7-6-2-1-4-5(9-6)3-8-10-4/h1-3H,(H,8,10)

Weigh it out

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

Names and synonyms

1 names

5-Chloro-1H-pyrazolo[4,3-B]pyridine

Work with 5-Chloro-1H-pyrazolo(4,3-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-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-950 % similar 1H-Pyrazolo(4,3-b)pyridine272-52-644 % similar 5-Chloro-1H-indazole698-26-041 % similar 5-Chloro-1H-pyrazolo(3,4-c)pyridine76006-08-141 % similar 2-Chloroquinoline612-62-441 % similar 4-Chloro (1H)indazole13096-96-338 % similar 2,5-Dichloroquinoline59412-12-338 % similar 5-Bromo-4-chloro-1H-indazole1082041-90-438 % similar

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

Same formula

2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-8 6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-0 5-Chloropyrazolo(1,5-a)pyrimidine29274-24-6 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-0 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-3 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-1 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-8 7-Chloropyrazolo[1,5-A]pyrimidine58347-49-2

Elsewhere

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