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67967-17-3 molecular structure
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5-bromo-1,7-naphthyridin-8-amine

ChemBase ID: 113992
Molecular Formular: C8H6BrN3
Molecular Mass: 224.05734
Monoisotopic Mass: 222.97450921
SMILES and InChIs

SMILES:
c12c(c(cnc1N)Br)cccn2
Canonical SMILES:
Brc1cnc(c2c1cccn2)N
InChI:
InChI=1S/C8H6BrN3/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H,(H2,10,12)
InChIKey:
NGCIOHWBZLIGLV-UHFFFAOYSA-N

Cite this record

CBID:113992 http://www.chembase.cn/molecule-113992.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-1,7-naphthyridin-8-amine
IUPAC Traditional name
5-bromo-1,7-naphthyridin-8-amine
Synonyms
5-Bromo-[1,7]naphthyridin-8-ylamine
CAS Number
67967-17-3
MDL Number
MFCD09863859
PubChem SID
162098930
PubChem CID
12441411

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1957-0054 external link Add to cart Please log in.
Data Source Data ID
PubChem 12441411 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.158396  H Acceptors
H Donor LogD (pH = 5.5) 1.4384924 
LogD (pH = 7.4) 1.4473975  Log P 1.4475123 
Molar Refractivity 50.4591 cm3 Polarizability 19.92758 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
1.59753 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

INTERNET

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