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1060804-77-4 molecular structure
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2-fluoro-4-methylpyridine-3-carboxylic acid

ChemBase ID: 815065
Molecular Formular: C7H6FNO2
Molecular Mass: 155.1264432
Monoisotopic Mass: 155.03825666
SMILES and InChIs

SMILES:
OC(=O)c1c(ccnc1F)C
Canonical SMILES:
OC(=O)c1c(C)ccnc1F
InChI:
InChI=1S/C7H6FNO2/c1-4-2-3-9-6(8)5(4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey:
ZVJKNZFRFJDNKL-UHFFFAOYSA-N

Cite this record

CBID:815065 http://www.chembase.cn/molecule-815065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-4-methylpyridine-3-carboxylic acid
IUPAC Traditional name
2-fluoro-4-methylpyridine-3-carboxylic acid
Synonyms
2-fluoro-4-methylnicotinic acid
CAS Number
1060804-77-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37318 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37318 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.328012  H Acceptors
H Donor LogD (pH = 5.5) 0.26483324 
LogD (pH = 7.4) -1.4792165  Log P 1.4632103 
Molar Refractivity 37.4296 cm3 Polarizability 13.339052 Å3
Polar Surface Area 50.19 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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