Basic information
- CAS
1190316-61-0- Standard SMILES
Cc1c(C(=O)O)cnc2[nH]ccc12- InChIKey
HDUOJOQMOGXEES-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 4-Methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
- IUPAC
- 4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
- English name
- 4-Methyl-7-azaindole-5-carboxylic acid
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
1190316-61-04-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acidDTXSID0012200334-Methyl-1H-pyrrolo(2,3-b)pyridine-5-carboxylic acidRefChem:524994DTXCID301651334995-346-04-METHYL-7-AZAINDOLE-5-CARBOXYLIC ACIDMFCD129627561H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-methyl-Tofacitinib Impurity 245SCHEMBL1082037
Show more names
4-methyl-7H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
QXB31661Vinorelbine Impurity 16 (Vindoline)AKOS027253811SB14276AS-49454SY241490DB-242073CS-0216214
Database identifiers
- CAS
1190316-61-0- PubChem CID
- 53412901
- DTXSID
DTXSID001220033- EC Number
- 995-346-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.44 · 1.44±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers11 total
上海策嵘生物科技有限公司[email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
嘉兴诺华化工有限公司021-20921617 18957373295 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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