ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate

C13H9ClF3NO2 — CID 169224634

IUPACethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)cccc2nc1C(F)(F)F
InChIInChI=1S/C13H9ClF3NO2/c1-2-20-12(19)8-6-7-9(14)4-3-5-10(7)18-11(8)13(15,16)17/h3-6H,2H2,1H3
InChIKeyMEUXLFUJIQAPCA-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.08
Rot. Bonds2

About ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate

ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate (PubChem CID 169224634) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
PubChem CID169224634
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Nameethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)cccc2nc1C(F)(F)F
InChIInChI=1S/C13H9ClF3NO2/c1-2-20-12(19)8-6-7-9(14)4-3-5-10(7)18-11(8)13(15,16)17/h3-6H,2H2,1H3
InChIKeyMEUXLFUJIQAPCA-UHFFFAOYSA-N
XLogP4.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
ethyl 7-chloro-6-fluoro-5-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 86650142
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate
CID 68787542
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
5-ethoxycarbonyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90039315
(2,6-dichlorophenyl)methyl 2-methylquinoline-4-carboxylate
CID 2432200
ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate?
The IUPAC name of ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate (CID 169224634) is ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate is CCOC(=O)c1cc2c(Cl)cccc2nc1C(F)(F)F.
What is the InChIKey of ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate?
The InChIKey is MEUXLFUJIQAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)8-6-7-9(14)4-3-5-10(7)18-11(8)13(15,16)17/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate?
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate has a molecular weight of 303.67 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate is sourced from PubChem (CID 169224634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).