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5632-81-5 molecular structure
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2-chloropyridine-3,5-diamine

ChemBase ID: 804998
Molecular Formular: C5H6ClN3
Molecular Mass: 143.57424
Monoisotopic Mass: 143.02502489
SMILES and InChIs

SMILES:
n1c(c(cc(c1)N)N)Cl
Canonical SMILES:
Nc1cnc(c(c1)N)Cl
InChI:
InChI=1S/C5H6ClN3/c6-5-4(8)1-3(7)2-9-5/h1-2H,7-8H2
InChIKey:
XNABPUPJEZQSCB-UHFFFAOYSA-N

Cite this record

CBID:804998 http://www.chembase.cn/molecule-804998.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloropyridine-3,5-diamine
IUPAC Traditional name
2-chloropyridine-3,5-diamine
Synonyms
3,5-DIAMINO-2-CHLOROPYRIDINE
CAS Number
5632-81-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22275 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22275 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) -0.078176126  LogD (pH = 7.4) -0.07805817 
Log P -0.07805666  Molar Refractivity 39.168 cm3
Polarizability 13.67125 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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