CAS 100704-10-7|(2-chloropyridin-4-yl)methanol|(2-Chloro-4-pyridinyl)methanol|(2-chloropyridin-4-yl)methanol|2-Chloro-4-(hydroxymethyl)pyridine|(2-氯-4-吡啶基)甲醇|(2-Chloro-4-pyridinyl)methanol|2-...

General Information

Structure

Molecular Formula

C₆H₆ClNO

Molecular Mass

143.57094

Exact Mass

143.0137915

Charge

InChI

InChI=1S/C6H6ClNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2

InChIKey

UDDVPFLXGOBESH-UHFFFAOYSA-N

Canonic Smiles

OCc1ccnc(c1)Cl

Isomeric Smiles

n1c(cc(CO)cc1)Cl

Calculated Properties

JChem

Acid pKa

14.694487

H Acceptors

H Donor

LogD (pH = 5.5)

0.81243134

LogD (pH = 7.4)

0.8124453

Log P

0.81244546

Molar Refractivity

36.5831

Polarizability

13.845083

Polar Surface Area

33.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2-chloropyridin-4-yl)methanol

IUPAC Traditional name

(2-chloropyridin-4-yl)methanol

Synonyms

(2-Chloro-4-pyridinyl)methanol2-Chloro-4-(hydroxymethyl)pyridine2-氯-4-(羟甲基)吡啶(2-Chloro-4-pyridinyl)methanol(2-氯-4-吡啶基)甲醇(2-chloropyridin-4-yl)methanol(2-Chloropyridin-4-yl)methanol2-Chloropyridine-4-methanol2-Chloro-4-(hydroxymethyl)pyridine 97%2-氯吡啶-4-甲醇

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers

Properties