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60186-26-7 molecular structure
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6-fluoropyridine-2,3-diamine

ChemBase ID: 801127
Molecular Formular: C5H6FN3
Molecular Mass: 127.1196432
Monoisotopic Mass: 127.05457543
SMILES and InChIs

SMILES:
n1c(c(ccc1F)N)N
Canonical SMILES:
Fc1ccc(c(n1)N)N
InChI:
InChI=1S/C5H6FN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
InChIKey:
OCAHJYPQETZMIC-UHFFFAOYSA-N

Cite this record

CBID:801127 http://www.chembase.cn/molecule-801127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoropyridine-2,3-diamine
IUPAC Traditional name
6-fluoropyridine-2,3-diamine
Synonyms
6-FLUORO-2,3-PYRIDINEDIAMINE
CAS Number
60186-26-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17439 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17439 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) 0.22878465  LogD (pH = 7.4) 0.22881128 
Log P 0.22881162  Molar Refractivity 34.8465 cm3
Polarizability 11.453982 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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