2-(Pyridin-4-yl)quinoline-4-carboxylic acid
Basic information
- CAS
14228-23-0- Standard SMILES
O=C(O)c1cc(-c2ccncc2)nc2ccccc12- InChIKey
IBXRRNLSWGROLA-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Names & identifiers
- Preferred name
- 2-(Pyridin-4-yl)quinoline-4-carboxylic acid
- IUPAC
- 2-pyridin-4-ylquinoline-4-carboxylic acid
- English name
- 2-(4-Pyridinyl)-4-quinolinecarboxylic acid
- Molecular formula
- C15H10N2O2
- Molecular weight
- 250.25
Names & synonyms
2-(pyridin-4-yl)quinoline-4-carboxylic acidRefChem:462152673-274-814228-23-02-(4-pyridinyl)-4-quinolinecarboxylic acid2-pyridin-4-ylquinoline-4-carboxylic acid2-Pyridin-4-yl-quinoline-4-carboxylic acidMFCD006876104-Quinolinecarboxylic acid, 2-(4-pyridinyl)-NSC3602112-(4-pyridyl)quinoline-4-carboxylic acidCINCHONINIC ACID, 2-(4-PYRIDYL)-
Show more names
2-(4-pyridyl)cinchoninicacid2-(4-pyridyl)-cinchoninicaci(1H-IMIDAZOL-2-YL)-HYDRAZINE2-pyridin-4-yl-4-quinolinecarboxylate2-(4-pyridinyl)-4-quinolinecarboxylicaci2-(4-pyridyl)-4-quinolinecarboxylic acid
NSC-360211CHEMBL4157372-(4-Pyridyl)cinchoninic acidNSC 3602112-(4-Pyridyl)cinchoninsaeure [German]BRN 00179722-(4-Pyridyl)cinchoninsaeureKyselin 2-(4-pyridyl)-cinchoninova [Czech]
Database identifiers
- CAS
14228-23-0- PubChem CID
- 26587
- DTXSID
DTXSID90161997- ChEMBL
CHEMBL415737- UNII
- 8U2ZPK2XZA
- EC Number
- 673-274-8
- Nikkaji
- J1.508.426J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 293 · 293-294 °C
- Boiling point
- 468.4 · 468.4±40.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.02 · 2.02±0.10(Predicted)
- Appearance
- Yellow to brown Solid
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 U2ZPK2XZA · 8U2ZPK2XZA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Pyridin-4-yl)quinoline-4-carboxylic Acid can be useful in the exploration of isoxazole-carboxylic acid Me ester based substituted quinoline derivs. as promising antitubercular agents.
Related reactions
2 records
Compound notes
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