Basic information
- CAS
127792-81-8- Standard SMILES
N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1- InChIKey
VADZOZAUGGYKFE-UHFFFAOYSA-N- Molecular formula
- C14H13N3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.11094742
Names & identifiers
- Preferred name
- 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
- IUPAC
- 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
- English name
- 1H-Indole-5-carbonitrile, 3-(1,2,3,6-tetrahydro-4-pyridinyl)-
- Molecular formula
- C14H13N3
- Molecular weight
- 223.27312
Names & synonyms
127792-81-83-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile5-cyano-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleCHEMBL263793-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole-5-carbonitrileSCHEMBL4880407DTXSID00462669TQP0495VADZOZAUGGYKFE-UHFFFAOYSA-NBDBM50015711MFCD26741992DB-393543
Show more names
5-Cyano-3-(1,2,3,6-tetrahydro-4-pyridyl)indole, 97%1H-Indole-5-carbonitrile, 3-(1,2,3,6-tetrahydro-4-pyridinyl)-
CS-01879585-cyano-3-(1,2,5,6-tetrahydropyridin-4-yl)-1H-indole3-(1,2,3,6-Tetrahydro-4-pyridinyl)1H-indole-5-carbonitrile3-(1,2,3,6-tetrahydro4-pyridinyl)-1H-indole-5-carbonitrile3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-carbonitrile
Database identifiers
- CAS
127792-81-8- PubChem CID
- 11333554
- DTXSID
DTXSID00462669- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
12 records
Compound notes
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