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29958-12-1 molecular structure
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6-iodopyridin-3-amine

ChemBase ID: 142152
Molecular Formular: C5H5IN2
Molecular Mass: 220.01107
Monoisotopic Mass: 219.94974617
SMILES and InChIs

SMILES:
c1cc(ncc1N)I
Canonical SMILES:
Ic1ccc(cn1)N
InChI:
InChI=1S/C5H5IN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
InChIKey:
FHJURFWVUOSFQI-UHFFFAOYSA-N

Cite this record

CBID:142152 http://www.chembase.cn/molecule-142152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodopyridin-3-amine
IUPAC Traditional name
6-iodopyridin-3-amine
Synonyms
5-Amino-2-iodopyridine
6-Iodo-3-pyridinamine
5-AMino-2-iodopyridine
5-氨基-2-碘吡啶
CAS Number
29958-12-1
MDL Number
MFCD02706663
PubChem SID
24883500
162236382
PubChem CID
2320576

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2320576 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.88795274  LogD (pH = 7.4) 0.8881767 
Log P 0.88817954  Molar Refractivity 41.6721 cm3
Polarizability 15.913221 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
63-67 °C expand Show data source
63-67°C expand Show data source
Storage Warning
Light Sensitive expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
22-37/38-41-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H332-H315-H319-H335 expand Show data source
H302-H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C5H5IN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 646997 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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