Home > Compound List > Compound details
426219-35-4 molecular structure
click picture or here to close

6-bromo-N-methylnaphthalene-2-carboxamide

ChemBase ID: 288021
Molecular Formular: C12H10BrNO
Molecular Mass: 264.1179
Monoisotopic Mass: 262.99457595
SMILES and InChIs

SMILES:
O=C(NC)c1ccc2cc(Br)ccc2c1
Canonical SMILES:
CNC(=O)c1ccc2c(c1)ccc(c2)Br
InChI:
InChI=1S/C12H10BrNO/c1-14-12(15)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3,(H,14,15)
InChIKey:
HPUCFMPIKISIIO-UHFFFAOYSA-N

Cite this record

CBID:288021 http://www.chembase.cn/molecule-288021.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-N-methylnaphthalene-2-carboxamide
IUPAC Traditional name
6-bromo-N-methylnaphthalene-2-carboxamide
Synonyms
6-Bromo-N-methyl-2-naphthamide
6-bromo-n-methyl-2-Naphthalenecarboxamide
CAS Number
426219-35-4
PubChem SID
180673552
PubChem CID
21879628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21879628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.944532  H Acceptors
H Donor LogD (pH = 5.5) 2.8057914 
LogD (pH = 7.4) 2.8057916  Log P 2.8057916 
Molar Refractivity 64.1061 cm3 Polarizability 25.187778 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle