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578007-68-8 molecular structure
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2-amino-1,8-naphthyridine-3-carboxylic acid hydrochloride

ChemBase ID: 811937
Molecular Formular: C9H8ClN3O2
Molecular Mass: 225.63172
Monoisotopic Mass: 225.03050419
SMILES and InChIs

SMILES:
Cl.c1(c(nc2ncccc2c1)N)C(=O)O
Canonical SMILES:
OC(=O)c1cc2cccnc2nc1N.Cl
InChI:
InChI=1S/C9H7N3O2.ClH/c10-7-6(9(13)14)4-5-2-1-3-11-8(5)12-7;/h1-4H,(H,13,14)(H2,10,11,12);1H
InChIKey:
JPVLNQBXCSZSED-UHFFFAOYSA-N

Cite this record

CBID:811937 http://www.chembase.cn/molecule-811937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-1,8-naphthyridine-3-carboxylic acid hydrochloride
IUPAC Traditional name
2-amino-1,8-naphthyridine-3-carboxylic acid hydrochloride
Synonyms
2-AMINO-[1,8]NAPHTHYRIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
CAS Number
578007-68-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31582 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31582 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.2844996  H Acceptors
H Donor LogD (pH = 5.5) 0.071507834 
LogD (pH = 7.4) -1.663438  Log P 1.3113471 
Molar Refractivity 51.6653 cm3 Polarizability 18.863283 Å3
Polar Surface Area 89.1 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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