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38275-55-7 molecular structure
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5-fluoropyrimidine-2-carbonitrile

ChemBase ID: 63567
Molecular Formular: C5H2FN3
Molecular Mass: 123.0878832
Monoisotopic Mass: 123.0232753
SMILES and InChIs

SMILES:
c1nc(C#N)ncc1F
Canonical SMILES:
N#Cc1ncc(cn1)F
InChI:
InChI=1S/C5H2FN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
InChIKey:
GAIUVAWQVCEHIS-UHFFFAOYSA-N

Cite this record

CBID:63567 http://www.chembase.cn/molecule-63567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoropyrimidine-2-carbonitrile
IUPAC Traditional name
5-fluoropyrimidine-2-carbonitrile
Synonyms
2-Cyano-5-fluoropyrimidine
5-Fluoro-2-pyrimidinecarbonitrile
5-Fluoropyrimidine-2-carbonitrile
CAS Number
38275-55-7
MDL Number
MFCD11846243
PubChem SID
162029306
PubChem CID
44181867

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7416919  LogD (pH = 7.4) 0.7416919 
Log P 0.7416919  Molar Refractivity 28.3212 cm3
Polarizability 10.182767 Å3 Polar Surface Area 49.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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
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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