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76167-49-2 molecular structure
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2-(pyridin-3-yloxy)aniline

ChemBase ID: 19063
Molecular Formular: C11H10N2O
Molecular Mass: 186.2099
Monoisotopic Mass: 186.07931295
SMILES and InChIs

SMILES:
c1(Oc2cnccc2)c(N)cccc1
Canonical SMILES:
Nc1ccccc1Oc1cccnc1
InChI:
InChI=1S/C11H10N2O/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9/h1-8H,12H2
InChIKey:
TXZXPJOTSAXPBZ-UHFFFAOYSA-N

Cite this record

CBID:19063 http://www.chembase.cn/molecule-19063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yloxy)aniline
IUPAC Traditional name
2-(pyridin-3-yloxy)aniline
Synonyms
2-(Pyridin-3-yloxy)aniline
2-(Pyridin-3-yloxy)-phenylamine
2-(pyridin-3-yloxy)aniline
CAS Number
76167-49-2
MDL Number
MFCD08059804
PubChem SID
160982370
PubChem CID
12673493

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12673493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3792605  LogD (pH = 7.4) 1.4262941 
Log P 1.4269346  Molar Refractivity 54.8423 cm3
Polarizability 20.902182 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C11H10N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00538 external link
Other Notes
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Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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