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67967-14-0 molecular structure
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5-bromo-1,7-naphthyridin-8-ol

ChemBase ID: 113993
Molecular Formular: C8H5BrN2O
Molecular Mass: 225.0421
Monoisotopic Mass: 223.95852479
SMILES and InChIs

SMILES:
c12c(c(cnc1O)Br)cccn2
Canonical SMILES:
Brc1cnc(c2c1cccn2)O
InChI:
InChI=1S/C8H5BrN2O/c9-6-4-11-8(12)7-5(6)2-1-3-10-7/h1-4H,(H,11,12)
InChIKey:
OWSHCBPPPAJVAA-UHFFFAOYSA-N

Cite this record

CBID:113993 http://www.chembase.cn/molecule-113993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-1,7-naphthyridin-8-ol
IUPAC Traditional name
5-bromo-1,7-naphthyridin-8-ol
Synonyms
5-Bromo-[1,7]naphthyridin-8-ol
CAS Number
67967-14-0
MDL Number
MFCD09863860
PubChem SID
162098931
PubChem CID
12441414

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1957-0055 external link Add to cart Please log in.
Data Source Data ID
PubChem 12441414 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.931802  H Acceptors
H Donor LogD (pH = 5.5) 1.9707266 
LogD (pH = 7.4) 1.9715898  Log P 1.9728729 
Molar Refractivity 47.7396 cm3 Polarizability 19.438375 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
1.96153 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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