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110139-62-3 molecular structure
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7-fluoroquinoline-2,3-dicarboxylic acid

ChemBase ID: 805320
Molecular Formular: C11H6FNO4
Molecular Mass: 235.1680432
Monoisotopic Mass: 235.0280859
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cc(c(n2)C(=O)O)C(=O)O)F
Canonical SMILES:
Fc1ccc2c(c1)nc(c(c2)C(=O)O)C(=O)O
InChI:
InChI=1S/C11H6FNO4/c12-6-2-1-5-3-7(10(14)15)9(11(16)17)13-8(5)4-6/h1-4H,(H,14,15)(H,16,17)
InChIKey:
MJAMQXJWFMDOQB-UHFFFAOYSA-N

Cite this record

CBID:805320 http://www.chembase.cn/molecule-805320.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-fluoroquinoline-2,3-dicarboxylic acid
IUPAC Traditional name
7-fluoroquinoline-2,3-dicarboxylic acid
Synonyms
7-FLUOROQUINOLINE-2,3-DICARBOXYLIC ACID
CAS Number
110139-62-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22607 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22607 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.317228  H Acceptors
H Donor LogD (pH = 5.5) -1.0016878 
LogD (pH = 7.4) -3.8595474  Log P 1.9746186 
Molar Refractivity 54.3361 cm3 Polarizability 21.38016 Å3
Polar Surface Area 87.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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