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1060809-21-3 molecular structure
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2-chloro-4-fluoropyridine-3-carbaldehyde

ChemBase ID: 815151
Molecular Formular: C6H3ClFNO
Molecular Mass: 159.5455232
Monoisotopic Mass: 158.98871962
SMILES and InChIs

SMILES:
c1(c(c(ncc1)Cl)C=O)F
Canonical SMILES:
O=Cc1c(F)ccnc1Cl
InChI:
InChI=1S/C6H3ClFNO/c7-6-4(3-10)5(8)1-2-9-6/h1-3H
InChIKey:
WBANSTMHNJBBMV-UHFFFAOYSA-N

Cite this record

CBID:815151 http://www.chembase.cn/molecule-815151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-fluoropyridine-3-carbaldehyde
IUPAC Traditional name
2-chloro-4-fluoropyridine-3-carbaldehyde
Synonyms
2-chloro-4-fluoronicotinaldehyde
CAS Number
1060809-21-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37412 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37412 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) 1.4349978  LogD (pH = 7.4) 1.4349995 
Log P 1.4349995  Molar Refractivity 36.5676 cm3
Polarizability 13.115867 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

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