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262296-07-1 molecular structure
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ethyl 2-methoxy-6-methylpyridine-4-carboxylate

ChemBase ID: 799116
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
O(C(=O)c1cc(nc(c1)C)OC)CC
Canonical SMILES:
CCOC(=O)c1cc(C)nc(c1)OC
InChI:
InChI=1S/C10H13NO3/c1-4-14-10(12)8-5-7(2)11-9(6-8)13-3/h5-6H,4H2,1-3H3
InChIKey:
XOQKKGJELOPPNN-UHFFFAOYSA-N

Cite this record

CBID:799116 http://www.chembase.cn/molecule-799116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-methoxy-6-methylpyridine-4-carboxylate
IUPAC Traditional name
ethyl 2-methoxy-6-methylpyridine-4-carboxylate
Synonyms
ethyl 2-methoxy-6-methylisonicotinate
CAS Number
262296-07-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13354 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13354 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) 1.6838303  LogD (pH = 7.4) 1.6840124 
Log P 1.6840148  Molar Refractivity 52.0432 cm3
Polarizability 20.004265 Å3 Polar Surface Area 48.42 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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