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874279-16-0 molecular structure
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pyrido[2,3-b]pyrazine-6-carbaldehyde

ChemBase ID: 113986
Molecular Formular: C8H5N3O
Molecular Mass: 159.1448
Monoisotopic Mass: 159.0432618
SMILES and InChIs

SMILES:
n1c2nccnc2ccc1C=O
Canonical SMILES:
O=Cc1ccc2c(n1)nccn2
InChI:
InChI=1S/C8H5N3O/c12-5-6-1-2-7-8(11-6)10-4-3-9-7/h1-5H
InChIKey:
FQVPEJDAEZBQRA-UHFFFAOYSA-N

Cite this record

CBID:113986 http://www.chembase.cn/molecule-113986.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrido[2,3-b]pyrazine-6-carbaldehyde
IUPAC Traditional name
pyrido[2,3-b]pyrazine-6-carbaldehyde
Synonyms
Pyrido[2,3-b]pyrazine-6-carbaldehyde
CAS Number
874279-16-0
MDL Number
MFCD09863856
PubChem SID
162098853
PubChem CID
11542824

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1957-0048 external link Add to cart Please log in.
Data Source Data ID
PubChem 11542824 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7932337  LogD (pH = 7.4) 0.79345316 
Log P 0.79345596  Molar Refractivity 43.0651 cm3
Polarizability 16.393894 Å3 Polar Surface Area 55.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.34706 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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