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849353-19-1 molecular structure
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5-iodo-2-methylpyridin-4-amine

ChemBase ID: 289183
Molecular Formular: C6H7IN2
Molecular Mass: 234.03765
Monoisotopic Mass: 233.96539623
SMILES and InChIs

SMILES:
Cc1ncc(I)c(N)c1
Canonical SMILES:
Cc1ncc(c(c1)N)I
InChI:
InChI=1S/C6H7IN2/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3,(H2,8,9)
InChIKey:
UJDOLPPZRSZZAS-UHFFFAOYSA-N

Cite this record

CBID:289183 http://www.chembase.cn/molecule-289183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-iodo-2-methylpyridin-4-amine
IUPAC Traditional name
5-iodo-2-methylpyridin-4-amine
Synonyms
5-Iodo-2-methylpyridin-4-amine
CAS Number
849353-19-1
PubChem SID
180674714
PubChem CID
53440097

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD217062 Please log in.
Data Source Data ID
PubChem 53440097 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4258719  LogD (pH = 7.4) 0.36769935 
Log P 0.9869621  Molar Refractivity 46.5555 cm3
Polarizability 17.56644 Å3 Polar Surface Area 38.91 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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