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1060816-46-7 molecular structure
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7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine

ChemBase ID: 813752
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
C1NCc2cc(ncc2C1)OC
Canonical SMILES:
COc1ncc2c(c1)CNCC2
InChI:
InChI=1S/C9H12N2O/c1-12-9-4-8-5-10-3-2-7(8)6-11-9/h4,6,10H,2-3,5H2,1H3
InChIKey:
GOKWWIAGEZAFQK-UHFFFAOYSA-N

Cite this record

CBID:813752 http://www.chembase.cn/molecule-813752.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine
IUPAC Traditional name
3-methoxy-5,6,7,8-tetrahydro-2,6-naphthyridine
Synonyms
7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine
CAS Number
1060816-46-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35834 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35834 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1963723  LogD (pH = 7.4) -0.65709877 
Log P 0.79059696  Molar Refractivity 47.2354 cm3
Polarizability 18.188314 Å3 Polar Surface Area 34.15 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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