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1258650-05-3 molecular structure
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2-chloro-[1,3]oxazolo[5,4-c]pyridine hydrochloride

ChemBase ID: 270972
Molecular Formular: C6H4Cl2N2O
Molecular Mass: 191.01476
Monoisotopic Mass: 189.97006812
SMILES and InChIs

SMILES:
n1c(oc2c1ccnc2)Cl.Cl
Canonical SMILES:
Clc1nc2c(o1)cncc2.Cl
InChI:
InChI=1S/C6H3ClN2O.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h1-3H;1H
InChIKey:
AACKTPPTLAURIF-UHFFFAOYSA-N

Cite this record

CBID:270972 http://www.chembase.cn/molecule-270972.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-[1,3]oxazolo[5,4-c]pyridine hydrochloride
IUPAC Traditional name
2-chloro-[1,3]oxazolo[5,4-c]pyridine hydrochloride
Synonyms
2-Chlorooxazolo[5,4-c]pyridine hydrochloride
2-chloro-[1,3]oxazolo[5,4-c]pyridine hydrochloride
CAS Number
1258650-05-3
MDL Number
MFCD17977040
PubChem SID
164326882
PubChem CID
50988449

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 50988449 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0154076  LogD (pH = 7.4) 1.0161972 
Log P 1.0162073  Molar Refractivity 35.5921 cm3
Polarizability 14.97144 Å3 Polar Surface Area 38.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.072 expand Show data source
Purity
95% expand Show data source
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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