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1060811-65-5 molecular structure
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4-amino-6-chloropyridine-3-carboxylic acid

ChemBase ID: 815991
Molecular Formular: C6H5ClN2O2
Molecular Mass: 172.5691
Monoisotopic Mass: 172.00395509
SMILES and InChIs

SMILES:
OC(=O)c1c(cc(nc1)Cl)N
Canonical SMILES:
Nc1cc(Cl)ncc1C(=O)O
InChI:
InChI=1S/C6H5ClN2O2/c7-5-1-4(8)3(2-9-5)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChIKey:
OMMNRIZZCGZOIK-UHFFFAOYSA-N

Cite this record

CBID:815991 http://www.chembase.cn/molecule-815991.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-6-chloropyridine-3-carboxylic acid
IUPAC Traditional name
4-amino-6-chloropyridine-3-carboxylic acid
Synonyms
4-AMINO-6-CHLORONICOTINIC ACID
CAS Number
1060811-65-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39509 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39509 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 14.9794445 Å3 Polar Surface Area 76.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 2.8454692  H Acceptors
H Donor LogD (pH = 5.5) -0.06550737 
LogD (pH = 7.4) -1.7344079  Log P 0.4192806 
Molar Refractivity 41.7238 cm3

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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