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5-[(2-fluoro-4-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

ChemBase ID: 340368
Molecular Formular: C14H16FN3O
Molecular Mass: 261.2947432
Monoisotopic Mass: 261.12774037
SMILES and InChIs

SMILES:
c12c([nH]cn1)CCN(C2)Cc1c(cc(cc1)OC)F
Canonical SMILES:
COc1ccc(c(c1)F)CN1CCc2c(C1)nc[nH]2
InChI:
InChI=1S/C14H16FN3O/c1-19-11-3-2-10(12(15)6-11)7-18-5-4-13-14(8-18)17-9-16-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,16,17)
InChIKey:
JUUQYHPASATGSK-UHFFFAOYSA-N

Cite this record

CBID:340368 http://www.chembase.cn/molecule-340368.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[(2-fluoro-4-methoxyphenyl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
IUPAC Traditional name
5-[(2-fluoro-4-methoxyphenyl)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridine
Synonyms
5-(2-fluoro-4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.0442705  H Acceptors
H Donor LogD (pH = 5.5) -0.4806794 
LogD (pH = 7.4) 1.0678984  Log P 1.3183364 
Molar Refractivity 71.623 cm3 Polarizability 27.00143 Å3
Polar Surface Area 41.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.14  LOG S -1.07 
Polar Surface Area 41.15 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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