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1000524-32-2 molecular structure
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2-(3-fluoropyridin-2-yl)acetic acid

ChemBase ID: 804388
Molecular Formular: C7H6FNO2
Molecular Mass: 155.1264432
Monoisotopic Mass: 155.03825666
SMILES and InChIs

SMILES:
C(C(=O)O)c1ncccc1F
Canonical SMILES:
OC(=O)Cc1ncccc1F
InChI:
InChI=1S/C7H6FNO2/c8-5-2-1-3-9-6(5)4-7(10)11/h1-3H,4H2,(H,10,11)
InChIKey:
KVVLGFFPZLHRJE-UHFFFAOYSA-N

Cite this record

CBID:804388 http://www.chembase.cn/molecule-804388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-fluoropyridin-2-yl)acetic acid
IUPAC Traditional name
(3-fluoropyridin-2-yl)acetic acid
Synonyms
2-(3-FLUOROPYRIDIN-2-YL)ACETIC ACID
CAS Number
1000524-32-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21337 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21337 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.255256  H Acceptors
H Donor LogD (pH = 5.5) -1.4073658 
LogD (pH = 7.4) -2.532744  Log P 0.60431254 
Molar Refractivity 35.0531 cm3 Polarizability 13.428663 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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