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1060807-02-4 molecular structure
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1-(6-methoxypyridin-3-yl)cyclopropane-1-carboxylic acid

ChemBase ID: 814772
Molecular Formular: C10H11NO3
Molecular Mass: 193.19924
Monoisotopic Mass: 193.07389322
SMILES and InChIs

SMILES:
C1(CC1)(C(=O)O)c1cnc(cc1)OC
Canonical SMILES:
COc1ccc(cn1)C1(CC1)C(=O)O
InChI:
InChI=1S/C10H11NO3/c1-14-8-3-2-7(6-11-8)10(4-5-10)9(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey:
CASNAIUVQSOWSE-UHFFFAOYSA-N

Cite this record

CBID:814772 http://www.chembase.cn/molecule-814772.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-methoxypyridin-3-yl)cyclopropane-1-carboxylic acid
IUPAC Traditional name
1-(6-methoxypyridin-3-yl)cyclopropane-1-carboxylic acid
Synonyms
1-(6-methoxypyridin-3-yl)cyclopropanecarboxylic acid
CAS Number
1060807-02-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37002 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37002 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7217228  H Acceptors
H Donor LogD (pH = 5.5) -0.46840164 
LogD (pH = 7.4) -1.8904375  Log P 1.142758 
Molar Refractivity 49.2587 cm3 Polarizability 19.139198 Å3
Polar Surface Area 59.42 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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