7-Chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
Basic information
- CAS
588696-83-7- Standard SMILES
Cc1c(Cl)ccc2c(C(=O)O)cc(-c3cccnc3)nc12- InChIKey
GJRLWOOMYJFTMN-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O2
- Average molar mass
- 298.72 g/mol
- Monoisotopic mass
- 298.0509053
Names & identifiers
- Preferred name
- 7-Chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
- IUPAC
- 7-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
- English name
- 7-CHLORO-8-METHYL-2-PYRIDIN-3-YLQUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C16H11ClN2O2
- Molecular weight
- 298.72
Names & synonyms
588696-83-77-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acidDTXSID90402094RefChem:310659DTXCID903529497-chloro-8-methyl-2-(pyridin-3-yl)quinoline-4-carboxylic acidMFCD034219597-chloro-8-methyl-2-(3-pyridyl)quinoline-4-carboxylic acidOprea1_101643CHEMBL4557494SCHEMBL17211771ALBB-000756
Show more names
IVK/1269071Reaxys ID: 269391647-chloro-8-methyl-2-(3-pyridyl)cinchoninic acid7-chloro-8-methyl-2-(3-pyridyl)-4-quinolinecarboxylic acid4-Quinolinecarboxylic acid, 7-chloro-8-methyl-2-(3-pyridinyl)-7-chloro-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid(SALTDATA: FREE)
BBL016942STK437160AKOS003332238VS-05707CS-0317563ST50843512H21116F307482
Database identifiers
- CAS
588696-83-7- PubChem CID
- 4339700
- DTXSID
DTXSID90402094- ChEMBL
CHEMBL4557494
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 518.3 · 518.3±50.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 1.86 · 1.86±0.10(Predicted)
- 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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