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15366-63-9 molecular structure
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4-iodopyridine-3-carboxylic acid

ChemBase ID: 813433
Molecular Formular: C6H4INO2
Molecular Mass: 249.00593
Monoisotopic Mass: 248.92867637
SMILES and InChIs

SMILES:
OC(=O)c1c(ccnc1)I
Canonical SMILES:
OC(=O)c1cnccc1I
InChI:
InChI=1S/C6H4INO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
InChIKey:
XAPIMMBHYWWKAE-UHFFFAOYSA-N

Cite this record

CBID:813433 http://www.chembase.cn/molecule-813433.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-iodopyridine-3-carboxylic acid
IUPAC Traditional name
4-iodopyridine-3-carboxylic acid
Synonyms
4-IODONICOTINIC ACID
CAS Number
15366-63-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34959 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34959 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.715625  H Acceptors
H Donor LogD (pH = 5.5) -0.5210608 
LogD (pH = 7.4) -1.9885706  Log P 1.1454514 
Molar Refractivity 44.5198 cm3 Polarizability 17.207651 Å3
Polar Surface Area 50.19 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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