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339279-00-4 molecular structure
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4-chloro-6-(methoxymethyl)-2-(pyridin-3-yl)pyrimidine

ChemBase ID: 799544
Molecular Formular: C11H10ClN3O
Molecular Mass: 235.6696
Monoisotopic Mass: 235.05123964
SMILES and InChIs

SMILES:
c1c(nc(nc1COC)c1cnccc1)Cl
Canonical SMILES:
COCc1cc(Cl)nc(n1)c1cccnc1
InChI:
InChI=1S/C11H10ClN3O/c1-16-7-9-5-10(12)15-11(14-9)8-3-2-4-13-6-8/h2-6H,7H2,1H3
InChIKey:
RBTFSKPPOOHKOI-UHFFFAOYSA-N

Cite this record

CBID:799544 http://www.chembase.cn/molecule-799544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-(methoxymethyl)-2-(pyridin-3-yl)pyrimidine
IUPAC Traditional name
4-chloro-6-(methoxymethyl)-2-(pyridin-3-yl)pyrimidine
Synonyms
4-chloro-6-(methoxymethyl)-2-(pyridin-3-yl)pyrimidine
CAS Number
339279-00-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14258 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14258 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) 1.9846916  LogD (pH = 7.4) 1.9929348 
Log P 1.9930412  Molar Refractivity 72.8875 cm3
Polarizability 24.233202 Å3 Polar Surface Area 47.9 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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