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1138444-10-6 molecular structure
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2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-4-amine

ChemBase ID: 32534
Molecular Formular: C10H13ClN2Si
Molecular Mass: 224.76212
Monoisotopic Mass: 224.05365264
SMILES and InChIs

SMILES:
c1cnc(c(c1N)C#C[Si](C)(C)C)Cl
Canonical SMILES:
Nc1ccnc(c1C#C[Si](C)(C)C)Cl
InChI:
InChI=1S/C10H13ClN2Si/c1-14(2,3)7-5-8-9(12)4-6-13-10(8)11/h4,6H,1-3H3,(H2,12,13)
InChIKey:
XCPLDMMZZOBCFU-UHFFFAOYSA-N

Cite this record

CBID:32534 http://www.chembase.cn/molecule-32534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-4-amine
IUPAC Traditional name
2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-4-amine
Synonyms
2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine
2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine
CAS Number
1138444-10-6
MDL Number
MFCD11857680
PubChem SID
160995841
PubChem CID
46736775

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8104415  LogD (pH = 7.4) 2.8390229 
Log P 2.8394  Molar Refractivity 54.7042 cm3
Polarizability 23.545307 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C10H13ClN2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000543 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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