Home > Compound List > Compound details
885280-91-1 molecular structure
click picture or here to close

2-(5-methoxypyridin-2-yl)aniline

ChemBase ID: 811052
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
Nc1c(cccc1)c1ncc(cc1)OC
Canonical SMILES:
COc1ccc(nc1)c1ccccc1N
InChI:
InChI=1S/C12H12N2O/c1-15-9-6-7-12(14-8-9)10-4-2-3-5-11(10)13/h2-8H,13H2,1H3
InChIKey:
PHUMJGBJCUJERY-UHFFFAOYSA-N

Cite this record

CBID:811052 http://www.chembase.cn/molecule-811052.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-methoxypyridin-2-yl)aniline
IUPAC Traditional name
2-(5-methoxypyridin-2-yl)aniline
Synonyms
2-(5-METHOXY-PYRIDIN-2-YL)-PHENYLAMINE
CAS Number
885280-91-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30070 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30070 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.793972  LogD (pH = 7.4) 1.8019491 
Log P 1.8020519  Molar Refractivity 59.8289 cm3
Polarizability 24.081533 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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