4-Chloro-1H-pyrazolo[3,4-b]pyridine

C₆H₄ClN₃CAS 29274-28-0153.57 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 swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

29274-28-0

SMILES

C1=CN=C2C(=C1Cl)C=NN2

InChIKey

AKWQSKVILVJWPC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

5-Chloro-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene

Work with 4-Chloro-1H-pyrazolo[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

4-Bromo-1H-pyrazolo(3,4-b)pyridine856859-49-956 % similar 4-Iodo-7-aza-1H-indazole861881-02-956 % similar 4-Chloro-7-azaindole55052-28-353 % similar 4-Chloro (1H)indazole13096-96-350 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-848 % similar 4-Chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine940948-29-847 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-047 % similar 4,8-Dichloroquinoline21617-12-942 % 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 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 6-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-9

Elsewhere

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