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1196146-61-8 molecular structure
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2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine

ChemBase ID: 814389
Molecular Formular: C9H12N2
Molecular Mass: 148.20498
Monoisotopic Mass: 148.10004839
SMILES and InChIs

SMILES:
c1c(nc2CNCCc2c1)C
Canonical SMILES:
Cc1ccc2c(n1)CNCC2
InChI:
InChI=1S/C9H12N2/c1-7-2-3-8-4-5-10-6-9(8)11-7/h2-3,10H,4-6H2,1H3
InChIKey:
WPPNBKOCFRWOQJ-UHFFFAOYSA-N

Cite this record

CBID:814389 http://www.chembase.cn/molecule-814389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine
IUPAC Traditional name
2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine
Synonyms
2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine
CAS Number
1196146-61-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36552 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36552 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) -1.9804603  LogD (pH = 7.4) -0.24745767 
Log P 0.5666528  Molar Refractivity 44.528 cm3
Polarizability 17.444899 Å3 Polar Surface Area 24.92 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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