Basic information
- CAS
1841078-75-8- Standard SMILES
c1ccc2cc(-n3ccc4ccncc43)ncc2c1- InChIKey
VVVBIGRMWWMIMM-UHFFFAOYSA-N- Molecular formula
- C16H11N3
- Average molar mass
- 245.28 g/mol
Names & identifiers
- Preferred name
- 3-(1H-Pyrrolo[2,3-C]pyridin-1-YL)isoquinoline
- IUPAC
- 3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
- English name
- 3-(1H-Pyrrolo[2,3-c]pyridin-1-y L)isoquinoline
- Molecular formula
- C16H11N3
- Molecular weight
- 245.28
Names & synonyms
3-(1H-PYRROLO[2,3-C]PYRIDIN-1-YL)ISOQUINOLINE1841078-75-83-pyrrolo[2,3-c]pyridin-1-ylisoquinolineMFCD31556531CHEMBL6054703SCHEMBL17336509US10022461, Compound 6BDBM281555BS-45267CS-0162787F693340Isoquinoline, 3-(1H-pyrrolo[2,3-c]pyridin-1-yl)-
Show more names
3-(1H-PYRROLO[2,3-C]PYRIDIN-1-Y L)ISOQUINOLINE
Database identifiers
- CAS
1841078-75-8- ChEMBL
CHEMBL6054703
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 478.8 · 478.8±33.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.12 · 7.12±0.30(Predicted)
Chemistry & industry
Suppliers12 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
上海易恩化学技术有限公司400-1332688 18019345275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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