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1260670-10-7 molecular structure
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5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid

ChemBase ID: 800506
Molecular Formular: C9H10N2O2
Molecular Mass: 178.1879
Monoisotopic Mass: 178.07422757
SMILES and InChIs

SMILES:
c1(cnc2CNCCc2c1)C(=O)O
Canonical SMILES:
OC(=O)c1cnc2c(c1)CCNC2
InChI:
InChI=1S/C9H10N2O2/c12-9(13)7-3-6-1-2-10-5-8(6)11-4-7/h3-4,10H,1-2,5H2,(H,12,13)
InChIKey:
PZQYTPXLZNUYFF-UHFFFAOYSA-N

Cite this record

CBID:800506 http://www.chembase.cn/molecule-800506.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid
IUPAC Traditional name
5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid
Synonyms
5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE-3-CARBOXYLIC ACID
CAS Number
1260670-10-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16514 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16514 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4827425  H Acceptors
H Donor LogD (pH = 5.5) -2.377906 
LogD (pH = 7.4) -2.4422622  Log P -2.3775935 
Molar Refractivity 47.1927 cm3 Polarizability 18.020206 Å3
Polar Surface Area 62.22 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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