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1060810-29-8 molecular structure
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5-chloro-2-(trifluoromethyl)pyridine-4-carbaldehyde

ChemBase ID: 813690
Molecular Formular: C7H3ClF3NO
Molecular Mass: 209.5530296
Monoisotopic Mass: 208.98552606
SMILES and InChIs

SMILES:
c1(cc(ncc1Cl)C(F)(F)F)C=O
Canonical SMILES:
O=Cc1cc(ncc1Cl)C(F)(F)F
InChI:
InChI=1S/C7H3ClF3NO/c8-5-2-12-6(7(9,10)11)1-4(5)3-13/h1-3H
InChIKey:
FWLOVHZBOXWMOL-UHFFFAOYSA-N

Cite this record

CBID:813690 http://www.chembase.cn/molecule-813690.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-(trifluoromethyl)pyridine-4-carbaldehyde
IUPAC Traditional name
5-chloro-2-(trifluoromethyl)pyridine-4-carbaldehyde
Synonyms
5-chloro-2-(trifluoromethyl)isonicotinaldehyde
CAS Number
1060810-29-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35767 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35767 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) 2.3358192  LogD (pH = 7.4) 2.3358192 
Log P 2.3358192  Molar Refractivity 40.8916 cm3
Polarizability 14.738705 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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