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2-(3-fluoro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine

ChemBase ID: 370549
Molecular Formular: C17H17FN2O2
Molecular Mass: 300.3274832
Monoisotopic Mass: 300.12740601
SMILES and InChIs

SMILES:
C(=O)(N1CCCC1)c1cc(c2cc(c(cc2)OC)F)ncc1
Canonical SMILES:
COc1ccc(cc1F)c1nccc(c1)C(=O)N1CCCC1
InChI:
InChI=1S/C17H17FN2O2/c1-22-16-5-4-12(10-14(16)18)15-11-13(6-7-19-15)17(21)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey:
OHZKOIJPTVGEGD-UHFFFAOYSA-N

Cite this record

CBID:370549 http://www.chembase.cn/molecule-370549.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-fluoro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine
IUPAC Traditional name
2-(3-fluoro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine
Synonyms
2-(3-fluoro-4-methoxyphenyl)-4-(pyrrolidin-1-ylcarbonyl)pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.476764  LogD (pH = 7.4) 2.4774609 
Log P 2.4774697  Molar Refractivity 81.7577 cm3
Polarizability 32.015953 Å3 Polar Surface Area 42.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.3  LOG S -2.5 
Polar Surface Area 42.43 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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