CAS 17288-53-8 5-methoxy-1H-pyrrolo(2,3-c)pyridine (HCID 641092)

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Basic information

CAS: 17288-53-8
Standard SMILES: COc1cc2cc[nH]c2cn1
InChIKey: CCNJNELOBGXDFD-UHFFFAOYSA-N
Molecular formula: C8H8N2O
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.06366288

Names & identifiers

Preferred name: 5-methoxy-1H-pyrrolo(2,3-c)pyridine
IUPAC: 5-methoxy-1H-pyrrolo[2,3-c]pyridine
English name: 5-METHOXY-6-AZAINDOLE
Molecular formula: C8H8N2O
Molecular weight: 148.16

Names & synonyms

5-methoxy-1H-pyrrolo[2,3-c]pyridine5-Methoxy-6-azaindole1H-pyrrolo[2,3-c]pyridine, 5-methoxy-5-methoxy-1H-pyrrolo(2,3-c)pyridine1H-pyrrolo(2,3-c)pyridine, 5-methoxy-RefChem:536602626-357-8InChI=1/C8H8N2O/c1-11-8-4-6-2-3-9-7(6)5-10-8/h2-5,9H,1H17288-53-8MFCD09038907SCHEMBL11499035-Methoxy-6-azaindole, 96%

Show more names

5-Methxy-6-azaindole5-Methoxy-6-azaindole 96%5-Methyl-1H-pyrrolo[2,3-c]pyridine5-Metho×y-1H-pyrrolo[2,3-c]pyridine

DTXSID40348852PB11893SY0975051H-Pyrrolo[2,3-c]pyridine,5-methoxy-AMY19433BCP27157CCNJNELOBGXDFDSCHEMBL2073189

Database identifiers

CAS: 17288-53-8
PubChem CID: 641092
DTXSID: DTXSID40348852
EC Number: 626-357-8

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 37.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 122 · 122-127 °C
Boiling point: 304 ℃ · 304℃
Density: 1.244 · 1.244
Flash point: 105 ℃ · 105℃
storage temp.: 2 · 2-8°C
pka: 14.36 · 14.36±0.40(Predicted)
form: powder
Appearance: Off-white to gray Solid
InChI: 1S/C8H8N2O/c1-11-8-4-6-2-3-9-7(6)5-10-8/h2-5,9H,1H3
InChIKey: CCNJNELOBGXDFD-UHFFFAOYSA-N
SMILES: COc1cc2cc[nH]c2cn1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2933998090
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: P280-P305+P351+P338

Chemistry & industry

Applications

UsesReactant for preparation of indole sulfonamides as HIV entry inhibitors1Reactant for synthesis of melatoninergic ligands including azaindole moiety2

UsesReactant for preparation of indole sulfonamides as HIV entry inhibitorsReactant for synthesis of melatoninergic ligands including azaindole moiety