CAS 586-95-8|pyridin-4-ylmethanol|4-pyridinemethanol|4-(Hydroxymethyl)pyridine|(Pyridin-4-yl)methanol|Pyridine-4-methanol|ω-羟基-4-皮考啉|4-Pyridyl carbinol|4-(Hydroxymethyl)pyridine|吡啶-4-甲醇|4-...

General Information

Structure

Molecular Formula

C₆H₇NO

Molecular Mass

109.12588

Exact Mass

109.05276385

Charge

InChI

InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2

InChIKey

PTMBWNZJOQBTBK-UHFFFAOYSA-N

Canonic Smiles

OCc1ccncc1

Isomeric Smiles

OCc1ccncc1

Calculated Properties

JChem

Acid pKa

14.795814

H Acceptors

H Donor

LogD (pH = 5.5)

-0.116289005

LogD (pH = 7.4)

-0.013308825

Log P

-0.011776378

Molar Refractivity

30.717

Polarizability

11.881411

Polar Surface Area

33.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

pyridin-4-ylmethanol (pyridin-4-yl)methanol

IUPAC Traditional name

4-pyridinemethanol

Synonyms

4-(Hydroxymethyl)pyridine(Pyridin-4-yl)methanolPyridine-4-methanol4-Pyridyl carbinol4-吡啶甲醇吡啶-4-甲醇ω-Hydroxy-4-picoline4-(Hydroxymethyl)pyridine4-(羟甲基)吡啶ω-羟基-4-皮考啉4-Pyridinemethanol4-PyridinemethanolPyridin-4-ylMethanol

Names and Identifiers

Registration numbers

PubChem SID

2484915324879704160975061

CAS Number

EC Number

MDL Number

Beilstein Number

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05217979

MP Biomedicals Rare Chemical collection

Sigma Aldrich

151629

Packaging
25, 100 g in poly bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Has been used to prepare 4-picolyl esters, by DCC coupling, as a polar protection method for the carboxyl group during peptide synthesis: J. Chem. Soc. (C), 1911 (1969). For further details of the 'handle' method of peptide synthesis, see 4-Chloromethylpyridine hydrochloride, A12859.

References

Bioactivity

PubChem BioAssay

Bioactivity