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108338-20-1 molecular structure
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2-(trifluoromethyl)pyridine-4-carbaldehyde

ChemBase ID: 811810
Molecular Formular: C7H4F3NO
Molecular Mass: 175.1079696
Monoisotopic Mass: 175.02449841
SMILES and InChIs

SMILES:
n1c(cc(cc1)C=O)C(F)(F)F
Canonical SMILES:
O=Cc1ccnc(c1)C(F)(F)F
InChI:
InChI=1S/C7H4F3NO/c8-7(9,10)6-3-5(4-12)1-2-11-6/h1-4H
InChIKey:
CBHUHUQPLDWHIO-UHFFFAOYSA-N

Cite this record

CBID:811810 http://www.chembase.cn/molecule-811810.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trifluoromethyl)pyridine-4-carbaldehyde
IUPAC Traditional name
2-(trifluoromethyl)pyridine-4-carbaldehyde
Synonyms
2-(TRIFLUOROMETHYL)-4-PYRIDINECARBOXALDEHYDE
CAS Number
108338-20-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31249 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31249 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) 1.7317741  LogD (pH = 7.4) 1.7317746 
Log P 1.7317746  Molar Refractivity 36.0868 cm3
Polarizability 12.699809 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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