Home > Compound List > Compound details
953732-05-3 molecular structure
click picture or here to close

2-(cyclopentyloxy)pyridine-3-carboxylic acid

ChemBase ID: 281294
Molecular Formular: C11H13NO3
Molecular Mass: 207.22582
Monoisotopic Mass: 207.08954328
SMILES and InChIs

SMILES:
c1(c(C(=O)O)cccn1)OC1CCCC1
Canonical SMILES:
OC(=O)c1cccnc1OC1CCCC1
InChI:
InChI=1S/C11H13NO3/c13-11(14)9-6-3-7-12-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChIKey:
PDIXGGMZPGOAAL-UHFFFAOYSA-N

Cite this record

CBID:281294 http://www.chembase.cn/molecule-281294.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(cyclopentyloxy)pyridine-3-carboxylic acid
IUPAC Traditional name
2-(cyclopentyloxy)pyridine-3-carboxylic acid
Synonyms
2-(cyclopentyloxy)nicotinic acid
CAS Number
953732-05-3
MDL Number
MFCD09731257
PubChem SID
180666825
PubChem CID
16784517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-88625 external link Add to cart Please log in.
Data Source Data ID
PubChem 16784517 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.4342346  H Acceptors
H Donor LogD (pH = 5.5) 1.1027359 
LogD (pH = 7.4) -0.6581699  Log P 2.2046444 
Molar Refractivity 54.3472 cm3 Polarizability 20.95059 Å3
Polar Surface Area 59.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.625 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle