2-(Tetrahydro-2H-pyran-4-yloxy)isonicotinic acid
Basic information
- CAS
1086379-86-3- Standard SMILES
O=C(O)c1ccnc(OC2CCOCC2)c1- InChIKey
JVKDIDPAEBELMS-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 2-(Tetrahydro-2H-pyran-4-yloxy)isonicotinic acid
- IUPAC
- 2-(oxan-4-yloxy)pyridine-4-carboxylic acid
- English name
- 2-(Oxan-4-yloxy)pyridine-4-carboxylic acid
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
1086379-86-32-(Tetrahydro-2H-pyran-4-yloxy)isonicotinic acid2-((Tetrahydro-2H-pyran-4-yl)oxy)isonicotinic acid2-(oxan-4-yloxy)pyridine-4-carboxylic acidMFCD09258832SCHEMBL17559434DTXSID001189825SBB052846AKOS010539498TS-005382-[(Oxan-4-yl)oxy]pyridine-4-carboxylic acidF065871
Show more names
4-Pyridinecarboxylic acid, 2-[(tetrahydro-2H-pyran-4-yl)oxy]-
2-((Tetrahydro-2H-pyran-4-yl)oxy)isonicotinicacid2-tetrahydropyran-4-yloxypyridine-4-carboxylic acid2-[(Tetrahydro-2H-pyran-4-yl)oxy]-4-pyridinecarboxylic acid2-(2H-3,4,5,6-tetrahydropyran-4-yloxy)pyridine-4-carboxylic acid
Database identifiers
- CAS
1086379-86-3- PubChem CID
- 28875498
- DTXSID
DTXSID001189825
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
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Related reactions
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Compound notes
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