Basic information
- CAS
4943-67-3- Standard SMILES
Cc1ccc2[nH]ccc2n1- InChIKey
WGRRBPXKOSKCJO-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 5-methyl-1H-pyrrolo[3,2-b]pyridine
- IUPAC
- 5-methyl-1H-pyrrolo[3,2-b]pyridine
- English name
- 5-METHYL-1H-PYRROLO[3,2-B]PYRIDINE
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
5-methyl-1H-pyrrolo[3,2-b]pyridine4943-67-35-Methyl-4-azaindoleMFCD098800901H-Pyrrolo[3,2-b]pyridine, 5-methyl-SCHEMBL5925874SCHEMBL29142001SCHEMBL295487855-Methylpyrrolo[3,2-b]pyridineDTXSID60469674WGRRBPXKOSKCJO-UHFFFAOYSA-N5-Methylpyrrolo[ 3,2-b]pyridine
Show more names
EAA94367AKOS006312679DS-4248SY277320DB-070991CS-0152756F234513
Database identifiers
- CAS
4943-67-3- PubChem CID
- 11629612
- DTXSID
DTXSID60469674- EC Number
- 116-015-1
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 268.7 · 268.7±20.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.83 · 14.83±0.40(Predicted)
- Appearance
- Light yellow to green yellow Solid
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses5-METHYL-1H-PYRROLO[3,2-B]PYRIDINE is an indole derivative used in pharmaceutical synthesis and organic experiments.
Upstream & downstream products
Upstream raw materials
Suppliers38 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
2 records
Compound notes
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