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1194974-82-7 molecular structure
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3-(6-methoxypyridin-2-yl)aniline

ChemBase ID: 290673
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
Nc1cccc(c2nc(OC)ccc2)c1
Canonical SMILES:
COc1cccc(n1)c1cccc(c1)N
InChI:
InChI=1S/C12H12N2O/c1-15-12-7-3-6-11(14-12)9-4-2-5-10(13)8-9/h2-8H,13H2,1H3
InChIKey:
IHNPUBICELQUGE-UHFFFAOYSA-N

Cite this record

CBID:290673 http://www.chembase.cn/molecule-290673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(6-methoxypyridin-2-yl)aniline
IUPAC Traditional name
3-(6-methoxypyridin-2-yl)aniline
Synonyms
3-(6-Methoxypyridin-2-yl)aniline
CAS Number
1194974-82-7
PubChem SID
180676204
PubChem CID
54759092

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229968 Please log in.
Data Source Data ID
PubChem 54759092 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3887415  LogD (pH = 7.4) 2.3964107 
Log P 2.3965094  Molar Refractivity 60.1424 cm3
Polarizability 24.08776 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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