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1260669-97-3 molecular structure
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5-amino-3-fluoropyridine-2-carboxylic acid

ChemBase ID: 801933
Molecular Formular: C6H5FN2O2
Molecular Mass: 156.1145032
Monoisotopic Mass: 156.03350563
SMILES and InChIs

SMILES:
n1c(c(cc(c1)N)F)C(=O)O
Canonical SMILES:
Nc1cnc(c(c1)F)C(=O)O
InChI:
InChI=1S/C6H5FN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11)
InChIKey:
IIKQFJYLWAYRSC-UHFFFAOYSA-N

Cite this record

CBID:801933 http://www.chembase.cn/molecule-801933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-amino-3-fluoropyridine-2-carboxylic acid
IUPAC Traditional name
5-amino-3-fluoropyridine-2-carboxylic acid
Synonyms
2-PYRIDINECARBOXYLIC ACID, 5-AMINO-3-FLUORO-
CAS Number
1260669-97-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18308 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18308 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3583903  H Acceptors
H Donor LogD (pH = 5.5) -1.1507556 
LogD (pH = 7.4) -2.8758261  Log P 0.112782605 
Molar Refractivity 35.7021 cm3 Polarizability 12.7901945 Å3
Polar Surface Area 76.21 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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