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914637-60-8 molecular structure
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pyrido[2,3-b]pyrazine-2-carboxylic acid

ChemBase ID: 90961
Molecular Formular: C8H5N3O2
Molecular Mass: 175.1442
Monoisotopic Mass: 175.03817642
SMILES and InChIs

SMILES:
n1c2ncc(nc2ccc1)C(=O)O
Canonical SMILES:
OC(=O)c1cnc2c(n1)cccn2
InChI:
InChI=1S/C8H5N3O2/c12-8(13)6-4-10-7-5(11-6)2-1-3-9-7/h1-4H,(H,12,13)
InChIKey:
MTLXFMCARORZEF-UHFFFAOYSA-N

Cite this record

CBID:90961 http://www.chembase.cn/molecule-90961.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyrido[2,3-b]pyrazine-2-carboxylic acid
IUPAC Traditional name
pyrido[2,3-b]pyrazine-2-carboxylic acid
Synonyms
2-Carboxypyrido[2,3-b]pyrazine
Pyrido[2,3-b]pyrazine-2-carboxylic acid 97%
CAS Number
914637-60-8
MDL Number
MFCD08056316
PubChem SID
162077665
PubChem CID
26967325

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6353 external link Add to cart Please log in.
Data Source Data ID
PubChem 26967325 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.3900304  H Acceptors
H Donor LogD (pH = 5.5) -1.647889 
LogD (pH = 7.4) -2.9557323  Log P 0.44984373 
Molar Refractivity 43.7505 cm3 Polarizability 16.866842 Å3
Polar Surface Area 75.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Density
1.51 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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