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77223-21-3 molecular structure
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7-chloro-2,4-dimethyl-1,8-naphthyridine

ChemBase ID: 113983
Molecular Formular: C10H9ClN2
Molecular Mass: 192.64486
Monoisotopic Mass: 192.04542598
SMILES and InChIs

SMILES:
c12nc(ccc2c(cc(n1)C)C)Cl
Canonical SMILES:
Clc1ccc2c(n1)nc(cc2C)C
InChI:
InChI=1S/C10H9ClN2/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3
InChIKey:
HLCDGFNOHFBIMK-UHFFFAOYSA-N

Cite this record

CBID:113983 http://www.chembase.cn/molecule-113983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-2,4-dimethyl-1,8-naphthyridine
IUPAC Traditional name
7-chloro-2,4-dimethyl-1,8-naphthyridine
Synonyms
7-Chloro-2,4-dimethyl-[1,8]naphthyridine
CAS Number
77223-21-3
MDL Number
MFCD00206716
PubChem SID
162098974
PubChem CID
273272

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1957-0043 external link Add to cart Please log in.
Data Source Data ID
PubChem 273272 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7071834  LogD (pH = 7.4) 2.707245 
Log P 2.707246  Molar Refractivity 54.894 cm3
Polarizability 20.829165 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.677 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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