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898795-78-3 molecular structure
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6-(2-fluorophenyl)pyridine-3-carbaldehyde

ChemBase ID: 812142
Molecular Formular: C12H8FNO
Molecular Mass: 201.1964232
Monoisotopic Mass: 201.0589921
SMILES and InChIs

SMILES:
c1c(cnc(c1)c1c(cccc1)F)C=O
Canonical SMILES:
O=Cc1ccc(nc1)c1ccccc1F
InChI:
InChI=1S/C12H8FNO/c13-11-4-2-1-3-10(11)12-6-5-9(8-15)7-14-12/h1-8H
InChIKey:
IUQSIJKUJJSTOO-UHFFFAOYSA-N

Cite this record

CBID:812142 http://www.chembase.cn/molecule-812142.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-fluorophenyl)pyridine-3-carbaldehyde
IUPAC Traditional name
6-(2-fluorophenyl)pyridine-3-carbaldehyde
Synonyms
6-(2-FLUOROPHENYL)NICOTINALDEHYDE
CAS Number
898795-78-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31881 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31881 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6435888  LogD (pH = 7.4) 2.64385 
Log P 2.6438534  Molar Refractivity 55.4657 cm3
Polarizability 21.928774 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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