6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid

C11H6F3NO3 — CID 165460373

IUPAC6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
SMILESCOc1nc2c(F)c(F)c(F)cc2cc1C(=O)O
InChIInChI=1S/C11H6F3NO3/c1-18-10-5(11(16)17)2-4-3-6(12)7(13)8(14)9(4)15-10/h2-3H,1H3,(H,16,17)
InChIKeyPZVYQHXYFVKNMV-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.36
Rot. Bonds2

About 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid

6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid (PubChem CID 165460373) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
PubChem CID165460373
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid
SMILESCOc1nc2c(F)c(F)c(F)cc2cc1C(=O)O
InChIInChI=1S/C11H6F3NO3/c1-18-10-5(11(16)17)2-4-3-6(12)7(13)8(14)9(4)15-10/h2-3H,1H3,(H,16,17)
InChIKeyPZVYQHXYFVKNMV-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

2-chloro-6,7,8-trifluoroquinoline-3-carboxylic acid
CID 54351265
6-fluoro-2-methoxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 174634718
6-bromo-8-ethyl-2-methoxyquinoline-3-carboxylic acid
CID 165460384
7-bromo-6-chloro-2-methoxy-8-methylquinoline-3-carboxylic acid
CID 71077241
6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
CID 102941991
6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690298
6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
CID 89421780
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
ethyl N-(5,6,7-trifluoro-3-methoxyquinoxalin-2-yl)carbamate
CID 142709307
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170
2-methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid (CID 165460373) is 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid is COc1nc2c(F)c(F)c(F)cc2cc1C(=O)O.
What is the InChIKey of 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid?
The InChIKey is PZVYQHXYFVKNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c1-18-10-5(11(16)17)2-4-3-6(12)7(13)8(14)9(4)15-10/h2-3H,1H3,(H,16,17).
What are the key properties of 6,7,8-trifluoro-2-methoxyquinoline-3-carboxylic acid?
6,7,8-trifluoro-2-methoxyquinoline-3-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-2-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 165460373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).