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884495-45-8 molecular structure
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2-chloro-4-methylpyridine-3-carbaldehyde

ChemBase ID: 806588
Molecular Formular: C7H6ClNO
Molecular Mass: 155.58164
Monoisotopic Mass: 155.0137915
SMILES and InChIs

SMILES:
c1(c(c(ncc1)Cl)C=O)C
Canonical SMILES:
O=Cc1c(C)ccnc1Cl
InChI:
InChI=1S/C7H6ClNO/c1-5-2-3-9-7(8)6(5)4-10/h2-4H,1H3
InChIKey:
YKJJHNSTEUWGPK-UHFFFAOYSA-N

Cite this record

CBID:806588 http://www.chembase.cn/molecule-806588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-methylpyridine-3-carbaldehyde
IUPAC Traditional name
2-chloro-4-methylpyridine-3-carbaldehyde
Synonyms
2-CHLORO-3-FORMYL-4-PICOLINE
CAS Number
884495-45-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24335 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24335 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) 1.8056989  LogD (pH = 7.4) 1.8057188 
Log P 1.805719  Molar Refractivity 41.3924 cm3
Polarizability 15.062428 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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