Basic information
- CAS
178269-03-9- Standard SMILES
Cc1ccc2c([N+](=O)[O-])c[nH]c2n1- InChIKey
VMFYYCGQWQPDFW-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 6-Methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 6-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
- English name
- 1H-Pyrrolo[2,3-b]pyridine, 6-methyl-3-nitro-
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
178269-03-96-Methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine1H-PYRROLO[2,3-B]PYRIDINE, 6-METHYL-3-NITRO-6-Methyl-3-nitro-7-azaindoleDTXSID30440672AKOS006312991SB14333CS-0004102
Database identifiers
- CAS
178269-03-9- PubChem CID
- 10487524
- DTXSID
DTXSID30440672
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 374 · 374.0±35.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.15 · 3.15±0.40(Predicted)
- 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.
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
Suppliers3 total
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海鑫矽新材料有限公司13585834793 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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