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[1-(6-aminopyridin-2-yl)-1H-1,3-benzodiazol-2-yl]methanol

ChemBase ID: 398710
Molecular Formular: C13H12N4O
Molecular Mass: 240.26058
Monoisotopic Mass: 240.10111102
SMILES and InChIs

SMILES:
n1(c(nc2c1cccc2)CO)c1nc(N)ccc1
Canonical SMILES:
OCc1nc2c(n1c1cccc(n1)N)cccc2
InChI:
InChI=1S/C13H12N4O/c14-11-6-3-7-12(16-11)17-10-5-2-1-4-9(10)15-13(17)8-18/h1-7,18H,8H2,(H2,14,16)
InChIKey:
GGWWRTUKSHQAQG-UHFFFAOYSA-N

Cite this record

CBID:398710 http://www.chembase.cn/molecule-398710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(6-aminopyridin-2-yl)-1H-1,3-benzodiazol-2-yl]methanol
IUPAC Traditional name
[1-(6-aminopyridin-2-yl)-1,3-benzodiazol-2-yl]methanol
Synonyms
[1-(6-aminopyridin-2-yl)-1H-benzimidazol-2-yl]methanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.913481  H Acceptors
H Donor LogD (pH = 5.5) 1.1645831 
LogD (pH = 7.4) 1.580244  Log P 1.5892719 
Molar Refractivity 79.2755 cm3 Polarizability 26.950663 Å3
Polar Surface Area 76.96 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.78  LOG S -1.62 
Polar Surface Area 76.96 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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