CAS 175135-48-5|2-(2,5-dimethylpyrrol-1-yl)pyridin-3-ol|2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-3-ol|2-(2,5-Dimethyl-1H-pyrrol-1-yl)pyridin-3-ol|2-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-hydroxypyridine|2-(2...

General Information

Structure

Molecular Formula

C₁₁H₁₂N₂O

Molecular Mass

188.22578

Exact Mass

188.09496301

Charge

InChI

InChI=1S/C11H12N2O/c1-8-5-6-9(2)13(8)11-10(14)4-3-7-12-11/h3-7,14H,1-2H3

InChIKey

HHDMLMOSQQBISY-UHFFFAOYSA-N

Canonic Smiles

Oc1cccnc1n1c(C)ccc1C

Isomeric Smiles

n1(c2ncccc2O)c(ccc1C)C

Calculated Properties

JChem

Acid pKa

9.661476

H Acceptors

H Donor

LogD (pH = 5.5)

2.3725176

LogD (pH = 7.4)

2.4043047

Log P

2.4071069

Molar Refractivity

66.2473

Polarizability

20.874292

Polar Surface Area

38.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-(2,5-dimethylpyrrol-1-yl)pyridin-3-ol

IUPAC name

2-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-3-ol

Synonyms

2-(2,5-Dimethyl-1H-pyrrol-1-yl)pyridin-3-ol2-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-hydroxypyridine2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-pyridinol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:79099