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60186-24-5 molecular structure
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6-fluoropyridine-3,4-diamine

ChemBase ID: 804944
Molecular Formular: C5H6FN3
Molecular Mass: 127.1196432
Monoisotopic Mass: 127.05457543
SMILES and InChIs

SMILES:
n1cc(c(cc1F)N)N
Canonical SMILES:
Fc1ncc(c(c1)N)N
InChI:
InChI=1S/C5H6FN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey:
WAOINDABWBSPMY-UHFFFAOYSA-N

Cite this record

CBID:804944 http://www.chembase.cn/molecule-804944.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoropyridine-3,4-diamine
IUPAC Traditional name
6-fluoropyridine-3,4-diamine
Synonyms
6-FLUORO-3,4-PYRIDINEDIAMINE
CAS Number
60186-24-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22177 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22177 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.36855  LogD (pH = 7.4) -0.3656826 
Log P -0.36564592  Molar Refractivity 34.533 cm3
Polarizability 11.450246 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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