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64874-38-0 molecular structure
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6-bromo-1,8-naphthyridin-2-amine

ChemBase ID: 66877
Molecular Formular: C8H6BrN3
Molecular Mass: 224.05734
Monoisotopic Mass: 222.97450921
SMILES and InChIs

SMILES:
n1c(ccc2cc(cnc12)Br)N
Canonical SMILES:
Brc1cnc2c(c1)ccc(n2)N
InChI:
InChI=1S/C8H6BrN3/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H,(H2,10,11,12)
InChIKey:
PEDHUXRIIJIMDP-UHFFFAOYSA-N

Cite this record

CBID:66877 http://www.chembase.cn/molecule-66877.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-1,8-naphthyridin-2-amine
IUPAC Traditional name
6-bromo-1,8-naphthyridin-2-amine
Synonyms
6-Bromo-1,8-naphthyridin-2-amine
2-Amino-6-bromo-1,8-diazanaphthalene
2-Amino-6-bromo-1,8-naphthyridine
6-BROMO-1,8-NAPHTHYRIDIN-2-AMINE
CAS Number
64874-38-0
MDL Number
MFCD09909648
PubChem SID
162032613
PubChem CID
12348890

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7724736  LogD (pH = 7.4) 1.7725163 
Log P 1.7725168  Molar Refractivity 52.0319 cm3
Polarizability 19.29903 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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