CAS 1150617-54-1 6-Bromo-1H-pyrazolo[4,3-b]pyridine (HCID 40152259)

Substructure search Find similar structures

Basic information

CAS: 1150617-54-1
Standard SMILES: Brc1cnc2cn[nH]c2c1
InChIKey: FONNZZMIJPHSJP-UHFFFAOYSA-N
Molecular formula: C6H4BrN3
Average molar mass: 198.02 g/mol
Monoisotopic mass: 196.95886

Names & identifiers

Preferred name: 6-Bromo-1H-pyrazolo[4,3-b]pyridine
IUPAC: 6-bromo-1H-pyrazolo[4,5-b]pyridine
English name: 6-Bromo-1H-pyrazolo[4,3-b]pyridine
Molecular formula: C6H4BrN3
Molecular weight: 198.02

Names & synonyms

6-bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1DTXSID906540116-Bromo-1H-pyrazolo(4,3-b)pyridineRefChem:307345DTXCID20604761828-258-76-Bromo-4H-pyrazolo[4,3-b]pyridine1934875-63-41H-Pyrazolo[4,3-b]pyridine, 6-bromo-MFCD12024534starbld0000763

Show more names

2-Bromo-6-Fluoro-3-Nitroaniline6-broMo-1H-pyrazolo[43-Cya-4-nitro-1H-indazole6-Bromo-1H-pyrazolo[4,3-b...

CHEMBL51765226-Bromo-1H-pyrazolo[4,3-b]pyridine, AldrichCPRDianhydrosorbi6-bromo-1H-pyrazolo[4,3-b]pyridine, 1150617-54-1, SureCN1759241, CTK4A9160, MolPort-019-918-607, ANW-50761, WTI-11434, ZINC32915118, AKOS015834546, AG-L-20425, PB17916, QC-9594, RP08686, 6-bromanyl-1H-pyrazolo[4,3-b]pyridine, AK-37629, BR-37629, KB-44749, AM20050683, FT-0653866, ST510562106-bromopyrazolopyridineAM20050683A803292CS-WAA0236

Database identifiers

CAS: 1150617-54-1
PubChem CID: 40152259
DTXSID: DTXSID90654011
ChEMBL: CHEMBL5176522
EC Number: 828-258-7
Nikkaji: J3.080.210A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 329 · 329.0±22.0 °C(Predicted)
Density: 1.894 · 1.894
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: solid
pka: 9.72 · 9.72±0.40(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)3-9-10-5/h1-3H,(H,9,10)
InChIKey: FONNZZMIJPHSJP-UHFFFAOYSA-N
SMILES: C12C=NNC1=CC(Br)=CN=2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements

Chemistry & industry

Applications

Uses6-Bromo-1H-pyrazolo[4,3-B]pyridine is widely used in the fields of medicine and pesticides.

Preparation methods

Preparation6-Hydrazino-1H-pyrazolo[4,3-B]pyridine can be prepared by reacting 3,6-dichloro-2-pyridinecarboxaldehyde and hydrazine hydrate as raw materials.