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35779-35-2 molecular structure
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3-(pyridine-3-carbonyl)pyridine

ChemBase ID: 306481
Molecular Formular: C11H8N2O
Molecular Mass: 184.19402
Monoisotopic Mass: 184.06366289
SMILES and InChIs

SMILES:
C(=O)(c1cnccc1)c1cnccc1
Canonical SMILES:
O=C(c1cccnc1)c1cccnc1
InChI:
InChI=1S/C11H8N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h1-8H
InChIKey:
AQLPDLOXKZRZEV-UHFFFAOYSA-N

Cite this record

CBID:306481 http://www.chembase.cn/molecule-306481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(pyridine-3-carbonyl)pyridine
IUPAC Traditional name
3-(pyridine-3-carbonyl)pyridine
Synonyms
dipyridin-3-ylmethanone
CAS Number
35779-35-2
MDL Number
MFCD01464076

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9844901  LogD (pH = 7.4) 0.99709177 
Log P 0.997254  Molar Refractivity 52.3197 cm3
Polarizability 20.180954 Å3 Polar Surface Area 42.85 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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