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886371-79-5 molecular structure
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methyl 4-fluoropyridine-2-carboxylate

ChemBase ID: 807174
Molecular Formular: C7H6FNO2
Molecular Mass: 155.1264432
Monoisotopic Mass: 155.03825666
SMILES and InChIs

SMILES:
n1c(cc(cc1)F)C(=O)OC
Canonical SMILES:
COC(=O)c1cc(F)ccn1
InChI:
InChI=1S/C7H6FNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3
InChIKey:
WVUMSXSSXWAGJM-UHFFFAOYSA-N

Cite this record

CBID:807174 http://www.chembase.cn/molecule-807174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-fluoropyridine-2-carboxylate
IUPAC Traditional name
methyl 4-fluoropyridine-2-carboxylate
Synonyms
4-FLUOROPYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
CAS Number
886371-79-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25116 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25116 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0875093  LogD (pH = 7.4) 1.0876014 
Log P 1.0876026  Molar Refractivity 35.7708 cm3
Polarizability 13.641629 Å3 Polar Surface Area 39.19 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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