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1060801-67-3 molecular structure
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6-chloro-5-methoxypyridine-3-carbaldehyde

ChemBase ID: 814955
Molecular Formular: C7H6ClNO2
Molecular Mass: 171.58104
Monoisotopic Mass: 171.00870612
SMILES and InChIs

SMILES:
c1c(cnc(c1OC)Cl)C=O
Canonical SMILES:
COc1cc(C=O)cnc1Cl
InChI:
InChI=1S/C7H6ClNO2/c1-11-6-2-5(4-10)3-9-7(6)8/h2-4H,1H3
InChIKey:
SIUZYEAMJQXUQU-UHFFFAOYSA-N

Cite this record

CBID:814955 http://www.chembase.cn/molecule-814955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-methoxypyridine-3-carbaldehyde
IUPAC Traditional name
6-chloro-5-methoxypyridine-3-carbaldehyde
Synonyms
6-chloro-5-methoxynicotinaldehyde
CAS Number
1060801-67-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37197 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37197 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) 1.1346253  LogD (pH = 7.4) 1.1346263 
Log P 1.1346263  Molar Refractivity 42.8144 cm3
Polarizability 15.871339 Å3 Polar Surface Area 39.19 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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