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210539-04-1 molecular structure
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6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine

ChemBase ID: 280104
Molecular Formular: C15H15ClN2
Molecular Mass: 258.746
Monoisotopic Mass: 258.09237617
SMILES and InChIs

SMILES:
n1c2c(CN(CC2)Cc2ccccc2)ccc1Cl
Canonical SMILES:
Clc1ccc2c(n1)CCN(C2)Cc1ccccc1
InChI:
InChI=1S/C15H15ClN2/c16-15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKey:
BPAUBEUYIXYWAV-UHFFFAOYSA-N

Cite this record

CBID:280104 http://www.chembase.cn/molecule-280104.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
IUPAC Traditional name
6-benzyl-2-chloro-7,8-dihydro-5H-1,6-naphthyridine
Synonyms
6-benzyl-2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine
CAS Number
210539-04-1
MDL Number
MFCD09040695
PubChem SID
180665635
PubChem CID
16228747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16228747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0696356  LogD (pH = 7.4) 2.7927537 
Log P 3.315377  Molar Refractivity 75.6543 cm3
Polarizability 29.036493 Å3 Polar Surface Area 16.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.329 expand Show data source
Purity
95% expand Show data source
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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