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68236-03-3 molecular structure
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6-chloropyrido[2,3-b]pyrazine

ChemBase ID: 65000
Molecular Formular: C7H4ClN3
Molecular Mass: 165.57976
Monoisotopic Mass: 165.00937482
SMILES and InChIs

SMILES:
c1cnc2c(n1)nc(cc2)Cl
Canonical SMILES:
Clc1ccc2c(n1)nccn2
InChI:
InChI=1S/C7H4ClN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-4H
InChIKey:
WHKACFUJNYOJPD-UHFFFAOYSA-N

Cite this record

CBID:65000 http://www.chembase.cn/molecule-65000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyrido[2,3-b]pyrazine
IUPAC Traditional name
6-chloropyrido[2,3-b]pyrazine
Synonyms
6-Chloropyrido[3,2-b]pyrazine
6-chloropyrido[2,3-b]pyrazine
CAS Number
68236-03-3
MDL Number
MFCD11518952
PubChem SID
162030739
PubChem CID
640834

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 640834 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2305812  LogD (pH = 7.4) 1.2306317 
Log P 1.2306323  Molar Refractivity 42.7324 cm3
Polarizability 16.430887 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148 - 150°C expand Show data source
Hydrophobicity(logP)
0.926 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
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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