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1060801-51-5 molecular structure
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4-chloro-5-methylpyridine-3-carbaldehyde

ChemBase ID: 814942
Molecular Formular: C7H6ClNO
Molecular Mass: 155.58164
Monoisotopic Mass: 155.0137915
SMILES and InChIs

SMILES:
c1(c(cncc1C)C=O)Cl
Canonical SMILES:
O=Cc1cncc(c1Cl)C
InChI:
InChI=1S/C7H6ClNO/c1-5-2-9-3-6(4-10)7(5)8/h2-4H,1H3
InChIKey:
IKRDFXBBEMLLBP-UHFFFAOYSA-N

Cite this record

CBID:814942 http://www.chembase.cn/molecule-814942.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-5-methylpyridine-3-carbaldehyde
IUPAC Traditional name
4-chloro-5-methylpyridine-3-carbaldehyde
Synonyms
4-chloro-5-methylnicotinaldehyde
CAS Number
1060801-51-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37183 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37183 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) 1.5811269  LogD (pH = 7.4) 1.5854858 
Log P 1.5855418  Molar Refractivity 40.3311 cm3
Polarizability 15.00634 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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