Basic information
- CAS
50700-60-2- Standard SMILES
COc1c[nH]ccc1=O- InChIKey
XKECCYGTTKNLOC-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767847
Overview
4-Hydroxy-3-methoxypyridine has been reported in Pulicaria laciniata with data available.
Names & identifiers
- Preferred name
- 3-Methoxypyridin-4-OL
- IUPAC
- 3-methoxy-1H-pyridin-4-one
- English name
- 4(1H)-Pyridinone,3-methoxy-(9CI)
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
3-METHOXYPYRIDIN-4-OL62885-41-03-methoxy-1H-pyridin-4-one4-Hydroxy-3-methoxypyridine3-methoxypyridin-4(1h)-one50700-60-23-methoxy-1,4-dihydropyridin-4-oneMFCD169988014-PYRIDINOL, 3-METHOXY-3-METHOXY-4-HYDROXYPYRIDINE4-Pyridinol,3-methoxy-(9CI)DTXSID80198757
Show more names
4(1H)-Pyridinone,3-methoxy-(9CI)
3-Methoxy-4(1H)-pyridinone1H-Pyridin-4-one, 3-methoxy-SCHEMBL3430889SCHEMBL9372692CHEMBL3786379SCHEMBL115036234(1H)-Pyridinone, 3-methoxy-AKOS006347288
Database identifiers
- CAS
50700-60-2、62885-41-0- PubChem CID
- 186643
- DTXSID
DTXSID80198757- ChEMBL
CHEMBL3786379
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Collision Cross Section121.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID80198757]
Chemistry & industry
Suppliers17 total
宁波振岳医药科技有限公司19817745290 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
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杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
武汉千恒瑞泰生物医药科技有限公司15610156652 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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