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132682-77-0 molecular structure
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2-(diphenylphosphanyl)-6-methylpyridine

ChemBase ID: 294270
Molecular Formular: C18H16NP
Molecular Mass: 277.300101
Monoisotopic Mass: 277.10203615
SMILES and InChIs

SMILES:
Cc1cccc(P(c2ccccc2)c2ccccc2)n1
Canonical SMILES:
Cc1cccc(n1)P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H16NP/c1-15-9-8-14-18(19-15)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3
InChIKey:
XEXYRTTUCDBSPJ-UHFFFAOYSA-N

Cite this record

CBID:294270 http://www.chembase.cn/molecule-294270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diphenylphosphanyl)-6-methylpyridine
IUPAC Traditional name
2-(diphenylphosphanyl)-6-methylpyridine
Synonyms
2-Diphenylphosphino-6-methylpyridine
CAS Number
132682-77-0
MDL Number
MFCD04974234
PubChem SID
180679801
PubChem CID
5242583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5242583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5869327  LogD (pH = 7.4) 4.6628404 
Log P 4.6639  Molar Refractivity 84.371 cm3
Polarizability 33.16012 Å3 Polar Surface Area 12.89 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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