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662116-66-7 molecular structure
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4,5-dichloropyridine-2,3-diamine

ChemBase ID: 289799
Molecular Formular: C5H5Cl2N3
Molecular Mass: 178.0193
Monoisotopic Mass: 176.98605254
SMILES and InChIs

SMILES:
Nc1ncc(Cl)c(Cl)c1N
Canonical SMILES:
Clc1cnc(c(c1Cl)N)N
InChI:
InChI=1S/C5H5Cl2N3/c6-2-1-10-5(9)4(8)3(2)7/h1H,8H2,(H2,9,10)
InChIKey:
GOVJRSTWOQZULF-UHFFFAOYSA-N

Cite this record

CBID:289799 http://www.chembase.cn/molecule-289799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5-dichloropyridine-2,3-diamine
IUPAC Traditional name
4,5-dichloropyridine-2,3-diamine
Synonyms
4,5-Dichloropyridine-2,3-diamine
CAS Number
662116-66-7
PubChem SID
180675330
PubChem CID
45480235

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226148 Please log in.
Data Source Data ID
PubChem 45480235 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8813994  LogD (pH = 7.4) 0.9000253 
Log P 0.9002684  Molar Refractivity 43.225 cm3
Polarizability 15.612794 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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