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369-03-9 molecular structure
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6-fluoropyridine-2-carboxamide

ChemBase ID: 99839
Molecular Formular: C6H5FN2O
Molecular Mass: 140.1151032
Monoisotopic Mass: 140.03859101
SMILES and InChIs

SMILES:
n1c(cccc1F)C(=O)N
Canonical SMILES:
Fc1cccc(n1)C(=O)N
InChI:
InChI=1S/C6H5FN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey:
IKRHXEUDAFUUKD-UHFFFAOYSA-N

Cite this record

CBID:99839 http://www.chembase.cn/molecule-99839.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoropyridine-2-carboxamide
IUPAC Traditional name
6-fluoropyridine-2-carboxamide
Synonyms
6-Fluoropyridine-2-carboxamide
6-Fluoropyridine-2-carboxamide
6-氟吡啶-2-甲酰胺
CAS Number
369-03-9
MDL Number
MFCD04038712
PubChem SID
162086086
PubChem CID
2769395

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2769395 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.663276  H Acceptors
H Donor LogD (pH = 5.5) 0.5286966 
LogD (pH = 7.4) 0.52869684  Log P 0.5286966 
Molar Refractivity 33.8386 cm3 Polarizability 12.062767 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
134-137°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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