Basic information
- CAS
214758-41-5- Standard SMILES
O=C(O)c1cccnc1Oc1ccc2c(c1)OCO2- InChIKey
HXXHQOGRXQVZCN-UHFFFAOYSA-N- Molecular formula
- C13H9NO5
- Average molar mass
- 259.21 g/mol
- Monoisotopic mass
- 259.04807239
Names & identifiers
- Preferred name
- 2-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acid
- IUPAC
- 2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxylic acid
- English name
- 2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID
- Molecular formula
- C13H9NO5
- Molecular weight
- 259.21
Names & synonyms
214758-41-52-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxylic acid2-(Benzo[d][1,3]dioxol-5-yloxy)nicotinic acidMFCD013137113-Pyridinecarboxylicacid, 2-(1,3-benzodioxol-5-yloxy)-2-(1,3-Benzodioxol-5-Yl-Oxy)Nicotinic Acid2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACIDMaybridge1_000006MixCom1_000006Oprea1_509777SCHEMBL5359868DTXSID10371672
Show more names
2-(1,3-BENZODIOXOLO-5-YLOXY)NICOTINIC ACID2-(1,3-BENZODIOXOL-5-YLOXY)NICOTINIC ACID(WXG01454)2-(1,3-Benzodioxol-5-yloxy)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-(1,3-benzodioxol-5-yloxy)-2-(3,4-METHYLENEDIOXYPHENOXY)PYRIDINE-3-CARBOXYLIC ACID
HXXHQOGRXQVZCN-UHFFFAOYSA-NCCG-49523SBB102156STK687952AKOS000210342UNM-0000305966CS-0333615UNM000011078701
Database identifiers
- CAS
214758-41-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 181 °C · 181 °C
- CAS DataBase Reference
- 214758 · 214758-41-5
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
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
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers4 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
24 records
Compound notes
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