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1222522-38-4 molecular structure
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5-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

ChemBase ID: 801290
Molecular Formular: C11H16BClN2O2
Molecular Mass: 254.52094
Monoisotopic Mass: 254.09933584
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1cc(ncc1Cl)N
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cc(N)ncc1Cl
InChI:
InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-9(14)15-6-8(7)13/h5-6H,1-4H3,(H2,14,15)
InChIKey:
GCMMCHSTEYEXQA-UHFFFAOYSA-N

Cite this record

CBID:801290 http://www.chembase.cn/molecule-801290.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC Traditional name
5-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Synonyms
2-AMINO-5-CHLOROPYRIDINE-4-BORONIC ACID PINACOL ESTER
CAS Number
1222522-38-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17640 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17640 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.021592  LogD (pH = 7.4) 3.0218961 
Log P 3.0219  Molar Refractivity 63.3749 cm3
Polarizability 26.143913 Å3 Polar Surface Area 57.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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