CAS 286946-77-8|5-Bromo-2-chloro-pyridin-3-ol|5-bromo-2-chloropyridin-3-ol|5-bromo-2-chloropyridin-3-ol|5-Bromo-2-chloro-pyridin-3-ol|5-Bromo-2-chloropyridin-3-ol

General Information

Structure

Molecular Formula

C₅H₃BrClNO

Molecular Mass

208.44042

Exact Mass

206.9086534

Charge

InChI

InChI=1S/C5H3BrClNO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H

InChIKey

KVDIPLHFSIUSIK-UHFFFAOYSA-N

Canonic Smiles

Brc1cnc(c(c1)O)Cl

Isomeric Smiles

c1(cnc(c(c1)O)Cl)Br

Calculated Properties

JChem

Acid pKa

6.6200676

H Acceptors

H Donor

LogD (pH = 5.5)

2.0139747

LogD (pH = 7.4)

1.2537514

Log P

2.0449824

Molar Refractivity

39.3709

Polarizability

15.070826

Polar Surface Area

33.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-Bromo-2-chloro-pyridin-3-ol5-Bromo-2-chloro-pyridin-3-ol5-Bromo-2-chloropyridin-3-ol

IUPAC name

5-bromo-2-chloropyridin-3-ol

IUPAC Traditional name

5-bromo-2-chloropyridin-3-ol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE000395

Other Notes
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Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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Calculated Properties