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88166-65-8 molecular structure
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5-methoxypyridine-2-carboxamide

ChemBase ID: 290846
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
O=C(N)c1ncc(OC)cc1
Canonical SMILES:
COc1ccc(nc1)C(=O)N
InChI:
InChI=1S/C7H8N2O2/c1-11-5-2-3-6(7(8)10)9-4-5/h2-4H,1H3,(H2,8,10)
InChIKey:
QKEBKDXTQLXCKW-UHFFFAOYSA-N

Cite this record

CBID:290846 http://www.chembase.cn/molecule-290846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxypyridine-2-carboxamide
IUPAC Traditional name
5-methoxypyridine-2-carboxamide
Synonyms
5-Methoxypicolinamide
CAS Number
88166-65-8
PubChem SID
180676377
PubChem CID
20486069

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230156 Please log in.
Data Source Data ID
PubChem 20486069 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.28016  H Acceptors
H Donor LogD (pH = 5.5) -0.16561332 
LogD (pH = 7.4) -0.16560729  Log P -0.16560726 
Molar Refractivity 39.0707 cm3 Polarizability 14.83012 Å3
Polar Surface Area 65.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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