6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid

C11H6F3NO3 — CID 102941991

IUPAC6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C11H6F3NO3/c1-18-7-3-6(11(16)17)15-10-4(7)2-5(12)8(13)9(10)14/h2-3H,1H3,(H,16,17)
InChIKeyYZCHWSMLTZJSFS-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.36
Rot. Bonds2

About 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid

6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid (PubChem CID 102941991) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
PubChem CID102941991
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C11H6F3NO3/c1-18-7-3-6(11(16)17)15-10-4(7)2-5(12)8(13)9(10)14/h2-3H,1H3,(H,16,17)
InChIKeyYZCHWSMLTZJSFS-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6,7,8-trifluoroquinoline-2-carboxylic acid
CID 55184890
7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
6-bromo-8-ethyl-4-methoxyquinoline-2-carboxylic acid
CID 102942112
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
1-(6,7,8-trifluoro-4-methylquinolin-2-yl)ethanone
CID 82576215
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
CID 165460373
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
6-(bromomethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665153
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid (CID 102941991) is 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2c(F)c(F)c(F)cc12.
What is the InChIKey of 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid?
The InChIKey is YZCHWSMLTZJSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c1-18-7-3-6(11(16)17)15-10-4(7)2-5(12)8(13)9(10)14/h2-3H,1H3,(H,16,17).
What are the key properties of 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid?
6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 102941991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).