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123811-74-5 molecular structure
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4-methoxypyridine-2-carboxylic acid hydrochloride

ChemBase ID: 812391
Molecular Formular: C7H8ClNO3
Molecular Mass: 189.59632
Monoisotopic Mass: 189.0192708
SMILES and InChIs

SMILES:
Cl.n1c(cc(cc1)OC)C(=O)O
Canonical SMILES:
COc1ccnc(c1)C(=O)O.Cl
InChI:
InChI=1S/C7H7NO3.ClH/c1-11-5-2-3-8-6(4-5)7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKey:
ZQALTXNYLWROAB-UHFFFAOYSA-N

Cite this record

CBID:812391 http://www.chembase.cn/molecule-812391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxypyridine-2-carboxylic acid hydrochloride
IUPAC Traditional name
4-methoxypyridine-2-carboxylic acid hydrochloride
Synonyms
4-METHOXY-PYRIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
CAS Number
123811-74-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32434 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32434 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.87454337  H Acceptors
H Donor LogD (pH = 5.5) -1.0446995 
LogD (pH = 7.4) -1.5285531  Log P -1.0330219 
Molar Refractivity 37.2485 cm3 Polarizability 14.351352 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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