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1060805-15-3 molecular structure
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6-fluoro-4-methoxypyridine-2-carboxylic acid

ChemBase ID: 815091
Molecular Formular: C7H6FNO3
Molecular Mass: 171.1258432
Monoisotopic Mass: 171.03317128
SMILES and InChIs

SMILES:
OC(=O)c1cc(cc(n1)F)OC
Canonical SMILES:
COc1cc(F)nc(c1)C(=O)O
InChI:
InChI=1S/C7H6FNO3/c1-12-4-2-5(7(10)11)9-6(8)3-4/h2-3H,1H3,(H,10,11)
InChIKey:
KXMYPUVHSAMYDB-UHFFFAOYSA-N

Cite this record

CBID:815091 http://www.chembase.cn/molecule-815091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-4-methoxypyridine-2-carboxylic acid
IUPAC Traditional name
6-fluoro-4-methoxypyridine-2-carboxylic acid
Synonyms
6-fluoro-4-methoxypicolinic acid
CAS Number
1060805-15-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37345 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37345 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4462342  H Acceptors
H Donor LogD (pH = 5.5) -0.8667417 
LogD (pH = 7.4) -2.213187  Log P 1.1779679 
Molar Refractivity 38.4796 cm3 Polarizability 14.174179 Å3
Polar Surface Area 59.42 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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