Basic information
- CAS
4394-05-2- Standard SMILES
Cc1cccc(Nc2ncccc2C(=O)O)c1C- InChIKey
XEQIPELDMSEBJG-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Overview
Nixylic acid is a small molecule drug. Nixylic acid has a monoisotopic molecular weight of 242.11 Da.
Names & identifiers
- Preferred name
- Nixylic acid
- IUPAC
- 2-(2,3-dimethylanilino)pyridine-3-carboxylic acid
- English name
- Nixylic acid
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
Nixylic acid4394-05-22-(2,3-dimethylanilino)pyridine-3-carboxylic acid2-((2,3-dimethylphenyl)amino)nicotinic acidAcide nixyliqueAcido nixilicoDTXSID8045694UP 74MLS0000687361ZI8H16Z5I2-[(2,3-dimethylphenyl)amino]pyridine-3-carboxylic acid2-(2,3-Xylidino)nicotinic acid
Show more names
2-[2,3-Dimethylanilino] nicotinic acid2-[(2,3-Dimethylphenyl)amino]-3-pyridinecarboxylic acid
UP-74NCGC00026844-023-Pyridinecarboxylic acid, 2-[(2,3-dimethylphenyl)amino]-SMR0000034072-(2,3-Dimethyl-phenylamino)-nicotinic acid2-[(2,3-Dimethylphenyl)amino]nicotinic acidASN 04446106Opera_ID_159
Database identifiers
- CAS
4394-05-2- PubChem CID
- 71827
- DTXSID
DTXSID8045694- ChEMBL
CHEMBL1596113- UNII
- 1ZI8H16Z5I
- EC Number
- 224-517-8
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
Solubility>36.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 248 °C · 248 °C
- Boiling point
- 403.2 · 403.2±45.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 1.76 · 1.76±0.36(Predicted)
- FDA UNII
- 1 ZI8H16Z5I · 1ZI8H16Z5I
Chemistry & industry
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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