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60186-23-4 molecular structure
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2-fluoropyridine-3,4-diamine

ChemBase ID: 801163
Molecular Formular: C5H6FN3
Molecular Mass: 127.1196432
Monoisotopic Mass: 127.05457543
SMILES and InChIs

SMILES:
n1c(c(c(cc1)N)N)F
Canonical SMILES:
Nc1c(N)ccnc1F
InChI:
InChI=1S/C5H6FN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey:
IPXZXBOPZPVJHP-UHFFFAOYSA-N

Cite this record

CBID:801163 http://www.chembase.cn/molecule-801163.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoropyridine-3,4-diamine
IUPAC Traditional name
2-fluoropyridine-3,4-diamine
Synonyms
2-FLUORO-3,4-PYRIDINEDIAMINE
CAS Number
60186-23-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17484 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17484 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P -0.36564592  Molar Refractivity 34.533 cm3
Polarizability 11.451125 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -0.36800855  LogD (pH = 7.4) -0.36567575 

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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