Basic information
- CAS
31980-29-7- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1- InChIKey
RARQHAFNGNPQCZ-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO3
- Average molar mass
- 305.75 g/mol
- Monoisotopic mass
- 305.0818711
Overview
Nicofibrate is a monocarboxylic acid.
Names & identifiers
- Preferred name
- Nicofibrate
- IUPAC
- pyridin-3-ylmethyl 2-(4-chlorophenoxy)-2-methylpropanoate
- English name
- nicofibrate
- Molecular formula
- C16H16ClNO3
- Molecular weight
- 305.76
Names & synonyms
Nicofibrate31980-29-7ClofenpyridNicofibratoNicofibrate [INN]NicofibratumNicofibrato [DCIT]Nicofibratum [INN-Latin]EINECS 250-880-7BRN 1542952UNII-4839MB71E73-Pyridylmethyl 2-(p-chlorophenoxy)-2-methylpropionate
Show more names
2-(p-Chlorophenoxy)-2-methylpropionic acid (pyridin-3-yl)methyl esterPropanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3-pyridinylmethyl ester
NICOFIBRATE [MI]4839MB71E7NICOFIBRATE [WHO-DD]DTXSID90185815Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 3-pyridylmethyl ester5-21-02-00176 (Beilstein Handbook Reference)Nicofibratum (INN-Latin)CLOFENPYRIDE
Database identifiers
- CAS
31980-29-7- PubChem CID
- 65778
- DTXSID
DTXSID90185815- ChEMBL
CHEMBL2106799- ChEBI
CHEBI:135299- UNII
- 4839MB71E7
- EC Number
- 250-880-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 48 · 48-49°
- Boiling point
- 0.4 · bp0.4 180°
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
- FDA UNII
- 4839 MB71E7 · 4839MB71E7
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Nicofibrate is a monocarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…