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107504-08-5 molecular structure
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5-fluoropyridine-2-carboxylic acid

ChemBase ID: 38355
Molecular Formular: C6H4FNO2
Molecular Mass: 141.0998632
Monoisotopic Mass: 141.02260659
SMILES and InChIs

SMILES:
c1(cnc(cc1)C(=O)O)F
Canonical SMILES:
Fc1ccc(nc1)C(=O)O
InChI:
InChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKey:
JTKFIIQGMVKDNZ-UHFFFAOYSA-N

Cite this record

CBID:38355 http://www.chembase.cn/molecule-38355.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoropyridine-2-carboxylic acid
IUPAC Traditional name
5-fluoropyridine-2-carboxylic acid
Synonyms
5-Fluoro-2-pyridinecarboxylic acid
5-Fluoropicolinic acid
2-Carboxy-5-fluoropyridine
5-Fluoropyridine-2-carboxylic acid
5-fluoropicolinic acid
5-Fluoropyridine-2-carboxylic acid
5-Fluoro-2-picolinic acid
5-氟吡啶-2-羧酸
CAS Number
107504-08-5
MDL Number
MFCD04114196
PubChem SID
161001662
PubChem CID
2762876

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7581618  H Acceptors
H Donor LogD (pH = 5.5) -0.8384663 
LogD (pH = 7.4) -2.3556216  Log P 0.94170856 
Molar Refractivity 31.0017 cm3 Polarizability 11.610658 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
164-166°C expand Show data source
164-166°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
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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