5-methoxy-1H-pyrrolo[3,2-b]pyridine
Basic information
- CAS
17288-40-3- Standard SMILES
COc1ccc2[nH]ccc2n1- InChIKey
WTIFEVSWZUSXQL-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 5-methoxy-1H-pyrrolo[3,2-b]pyridine
- IUPAC
- 5-methoxy-1H-pyrrolo[3,2-b]pyridine
- English name
- 5-Methoxy-1H-pyrrolo[3,2-b]pyridine
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
5-methoxy-1H-pyrrolo[3,2-b]pyridine17288-40-31H-pyrrolo[3,2-b]pyridine, 5-methoxy-DTXSID904159025-methoxy-1H-pyrrolo(3,2-b)pyridine1H-pyrrolo(3,2-b)pyridine, 5-methoxy-RefChem:303693DTXCID20366751630-671-0InChI=1/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H5-Methoxy-4-azaindoleMFCD08688601
Show more names
5-Methoxy-1H-pyrrolo[35-Methoxy-1H-pyrrolo[3,2-b]pyridine 97%5-Metho×y-4-azaindole,5-Metho×y-1H-pyrrolo[3,2-b]pyridine5-Methoxy-4-azaindole,5-Methoxy-1H-pyrrolo[3,2-b]pyridine
5-methoxypyrrolo[3,2-b]pyridine5-methoxy-pyrrolo[3,2-b]pyridine5-methoxypyrrolo-[3,2-b]pyridineAKOS006282107CS-W008514YXU5-Methoxy-4-Aza-1H-IndoleSCHEMBL1150368
Database identifiers
- CAS
17288-40-3- PubChem CID
- 5324369
- DTXSID
DTXSID90415902- EC Number
- 630-671-0
- Nikkaji
- J1.556.056H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 115 · 115-116°C
- Boiling point
- 285 ℃ · 285℃
- Density
- 1.244 · 1.244
- Flash point
- 98 ℃ · 98℃
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 14.36 · 14.36±0.40(Predicted)
- color
- Light yellow to brown
- InChI
- InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
- InChIKey
- WTIFEVSWZUSXQL-UHFFFAOYSA-N
- SMILES
- C12C=CNC1=CC=C(OC)N=2
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
17 records
Compound notes
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