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1060809-49-5 molecular structure
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1-(4-fluoropyridin-2-yl)cyclopropane-1-carboxylic acid

ChemBase ID: 815166
Molecular Formular: C9H8FNO2
Molecular Mass: 181.1637232
Monoisotopic Mass: 181.05390672
SMILES and InChIs

SMILES:
C1(CC1)(C(=O)O)c1nccc(c1)F
Canonical SMILES:
OC(=O)C1(CC1)c1nccc(c1)F
InChI:
InChI=1S/C9H8FNO2/c10-6-1-4-11-7(5-6)9(2-3-9)8(12)13/h1,4-5H,2-3H2,(H,12,13)
InChIKey:
PVXZNFUKLCABSQ-UHFFFAOYSA-N

Cite this record

CBID:815166 http://www.chembase.cn/molecule-815166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-fluoropyridin-2-yl)cyclopropane-1-carboxylic acid
IUPAC Traditional name
1-(4-fluoropyridin-2-yl)cyclopropane-1-carboxylic acid
Synonyms
1-(4-fluoropyridin-2-yl)cyclopropanecarboxylic acid
CAS Number
1060809-49-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37428 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37428 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.8618805  H Acceptors
H Donor LogD (pH = 5.5) -0.64164144 
LogD (pH = 7.4) -1.8694698  Log P 0.5557939 
Molar Refractivity 42.3264 cm3 Polarizability 16.351942 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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