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1150164-92-3 molecular structure
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5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

ChemBase ID: 290474
Molecular Formular: C10H10BrN3
Molecular Mass: 252.1105
Monoisotopic Mass: 251.00580934
SMILES and InChIs

SMILES:
Cc1cc(C)nn1c1ncc(Br)cc1
Canonical SMILES:
Brc1ccc(nc1)n1nc(cc1C)C
InChI:
InChI=1S/C10H10BrN3/c1-7-5-8(2)14(13-7)10-4-3-9(11)6-12-10/h3-6H,1-2H3
InChIKey:
KQPQXODEGMMZQU-UHFFFAOYSA-N

Cite this record

CBID:290474 http://www.chembase.cn/molecule-290474.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
IUPAC Traditional name
5-bromo-2-(3,5-dimethylpyrazol-1-yl)pyridine
Synonyms
5-bromo-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
CAS Number
1150164-92-3
PubChem SID
180676005
PubChem CID
46739389

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229605 Please log in.
Data Source Data ID
PubChem 46739389 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.534679  LogD (pH = 7.4) 2.5355227 
Log P 2.5355334  Molar Refractivity 59.9403 cm3
Polarizability 22.16678 Å3 Polar Surface Area 30.71 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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