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400777-06-2 molecular structure
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6-chloro-2-iodopyridin-3-amine

ChemBase ID: 54366
Molecular Formular: C5H4ClIN2
Molecular Mass: 254.45613
Monoisotopic Mass: 253.91077382
SMILES and InChIs

SMILES:
n1c(c(ccc1Cl)N)I
Canonical SMILES:
Clc1ccc(c(n1)I)N
InChI:
InChI=1S/C5H4ClIN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKey:
CWPAZQRTFHRMQI-UHFFFAOYSA-N

Cite this record

CBID:54366 http://www.chembase.cn/molecule-54366.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-iodopyridin-3-amine
IUPAC Traditional name
6-chloro-2-iodopyridin-3-amine
Synonyms
6-Chloro-2-iodopyridin-3-amine
CAS Number
400777-06-2
MDL Number
MFCD11044246
PubChem SID
162059129
PubChem CID
18407043

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7124014  LogD (pH = 7.4) 1.7124014 
Log P 1.7124014  Molar Refractivity 47.5382 cm3
Polarizability 17.965433 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
146 - 147 °C expand Show data source
146-147°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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