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56100-22-2 molecular structure
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2-methyl-6-(pyridin-2-yl)pyridine

ChemBase ID: 148550
Molecular Formular: C11H10N2
Molecular Mass: 170.2105
Monoisotopic Mass: 170.08439833
SMILES and InChIs

SMILES:
Cc1cccc(n1)c1ccccn1
Canonical SMILES:
Cc1cccc(n1)c1ccccn1
InChI:
InChI=1S/C11H10N2/c1-9-5-4-7-11(13-9)10-6-2-3-8-12-10/h2-8H,1H3
InChIKey:
LLCYXFYLGPOKQO-UHFFFAOYSA-N

Cite this record

CBID:148550 http://www.chembase.cn/molecule-148550.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-(pyridin-2-yl)pyridine
IUPAC Traditional name
2-methyl-6-(pyridin-2-yl)pyridine
Synonyms
6-Methyl-2,2′-dipyridyl
6-甲基-2,2′-二吡啶
CAS Number
56100-22-2
MDL Number
MFCD02093688
PubChem SID
24873868
162242725
PubChem CID
639521

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
516147 external link Add to cart Please log in.
Data Source Data ID
PubChem 639521 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0798888  LogD (pH = 7.4) 2.0880916 
Log P 2.0881972  Molar Refractivity 50.7279 cm3
Polarizability 21.342264 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
117-119 °C/0.1 mmHg(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
1.09 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.607(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C11H10N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 516147 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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