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375368-85-7 molecular structure
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6-fluoro-2-methylpyridine-3-carbonitrile

ChemBase ID: 98617
Molecular Formular: C7H5FN2
Molecular Mass: 136.1264032
Monoisotopic Mass: 136.04367639
SMILES and InChIs

SMILES:
n1c(ccc(c1C)C#N)F
Canonical SMILES:
Cc1nc(F)ccc1C#N
InChI:
InChI=1S/C7H5FN2/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,1H3
InChIKey:
QHANDBDQIAZNHP-UHFFFAOYSA-N

Cite this record

CBID:98617 http://www.chembase.cn/molecule-98617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoro-2-methylpyridine-3-carbonitrile
IUPAC Traditional name
6-fluoro-2-methylpyridine-3-carbonitrile
Synonyms
6-Fluoro-2-methylpyridine-3-carbonitrile
5-Cyano-2-fluoro-6-picoline
6-Fluoro-2-methylnicotinonitrile
CAS Number
375368-85-7
MDL Number
MFCD03095096
PubChem SID
162085013
PubChem CID
40418619

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC5881 external link Add to cart Please log in.
Data Source Data ID
PubChem 40418619 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2796724  LogD (pH = 7.4) 1.2796724 
Log P 1.2796724  Molar Refractivity 35.4453 cm3
Polarizability 12.73005 Å3 Polar Surface Area 36.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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