Basic information
- CAS
13141-42-9- Standard SMILES
C(#Cc1ccccn1)c1ccccc1- InChIKey
RODTWUBQTXSTLJ-UHFFFAOYSA-N- Molecular formula
- C13H9N
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.07349929
Names & identifiers
- Preferred name
- 2-(2-Phenylethynyl)pyridine
- IUPAC
- 2-(2-phenylethynyl)pyridine
- English name
- 2-(2-phenylethynyl)pyridine
- Molecular formula
- C13H9N
- Molecular weight
- 179.22
Names & synonyms
2-(2-Phenylethynyl)pyridine2-(Phenylethynyl)pyridine13141-42-9Pyridine,2-(2-phenylethynyl)-GXN9KA7YPXEINECS 236-077-4Pyridine, 2-(phenylethynyl)-PyridylphenylazetyleneUNII-GXN9KA7YPXSCHEMBL1200558SCHEMBL1200640SCHEMBL1809895
Show more names
Pyridine, 2-(2-phenylethynyl)-1-Phenyl-2-(2-pyridyl)acetylene1-(2-Pyridyl)-2-phenylacetylene
SCHEMBL2650997SCHEMBL78733932-(2-phenyl-ethynyl)-pyridineSCHEMBL30214468DTXSID90157032AKOS030239852EBC-444056HS-4816
Database identifiers
- CAS
13141-42-9- PubChem CID
- 83175
- DTXSID
DTXSID90157032- UNII
- GXN9KA7YPX
- EC Number
- 236-077-4
- Nikkaji
- J145.974K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- FDA UNII
- 9 KA7YPX · GXN9KA7YPX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海凯米莱铂生物科技有限公司18116465878 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
1 records
Compound notes
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