Basic information
- CAS
1190319-76-6- Standard SMILES
Cc1nccc2[nH]cc(Cl)c12- InChIKey
SRTKITHZGUAEOE-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 3-Chloro-4-methyl-1H-pyrrolo[3,2-c]pyridine
- IUPAC
- 3-chloro-4-methyl-1H-pyrrolo[3,2-c]pyridine
- English name
- 3-Chloro-4-Methyl-5-azaindole
- Molecular formula
- C8H7ClN2
- Molecular weight
- 166.61
Names & synonyms
3-Chloro-4-methyl-1H-pyrrolo[3,2-c]pyridine1190319-76-61H-Pyrrolo[3,2-c]pyridine, 3-chloro-4-methyl-3-Chloro-4-Methyl-5-azaindole
Database identifiers
- CAS
1190319-76-6- PubChem CID
- 121228737
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 324.4 · 324.4±37.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.40(Predicted)
Chemistry & industry
Suppliers3 total
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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