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1196154-03-6 molecular structure
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2-amino-5-fluoropyridine-3-carboxylic acid

ChemBase ID: 51587
Molecular Formular: C6H5FN2O2
Molecular Mass: 156.1145032
Monoisotopic Mass: 156.03350563
SMILES and InChIs

SMILES:
c1(cnc(c(c1)C(=O)O)N)F
Canonical SMILES:
Fc1cnc(c(c1)C(=O)O)N
InChI:
InChI=1S/C6H5FN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)
InChIKey:
LLLGMKGDTWQLRK-UHFFFAOYSA-N

Cite this record

CBID:51587 http://www.chembase.cn/molecule-51587.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-fluoropyridine-3-carboxylic acid
IUPAC Traditional name
2-amino-5-fluoropyridine-3-carboxylic acid
Synonyms
2-Amino-5-fluoronicotinic acid
2-Amino-5-fluoronicotinic acid
CAS Number
1196154-03-6
MDL Number
MFCD13190373
PubChem SID
162056350
PubChem CID
49761575

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.308407  H Acceptors
H Donor LogD (pH = 5.5) -0.2758413 
LogD (pH = 7.4) -2.0077379  Log P 0.84052616 
Molar Refractivity 36.3876 cm3 Polarizability 12.785616 Å3
Polar Surface Area 76.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H5FN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000127 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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