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619334-28-0 molecular structure
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6-(furan-2-yl)pyridine-3-carbonitrile

ChemBase ID: 101361
Molecular Formular: C10H6N2O
Molecular Mass: 170.16744
Monoisotopic Mass: 170.04801282
SMILES and InChIs

SMILES:
n1c(c2occc2)ccc(C#N)c1
Canonical SMILES:
N#Cc1ccc(nc1)c1ccco1
InChI:
InChI=1S/C10H6N2O/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10/h1-5,7H
InChIKey:
MLVPTQAKBGAZLS-UHFFFAOYSA-N

Cite this record

CBID:101361 http://www.chembase.cn/molecule-101361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(furan-2-yl)pyridine-3-carbonitrile
IUPAC Traditional name
6-(furan-2-yl)pyridine-3-carbonitrile
Synonyms
6-(2-furyl)nicotinonitrile
CAS Number
619334-28-0
MDL Number
MFCD09025879
PubChem SID
162087532
PubChem CID
11116473

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 11116473 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7049918  LogD (pH = 7.4) 1.7049919 
Log P 1.7049919  Molar Refractivity 46.7778 cm3
Polarizability 19.094742 Å3 Polar Surface Area 49.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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