CAS 54127-63-8|5-chloro-6-hydroxypyridine-3-carboxylic acid|5-chloro-6-hydroxypyridine-3-carboxylic acid|3-Chloro-2-hydroxypyridine-5-carboxylic acid|3-Chloro-2-hydroxypyridine-5-carboxylic acid|5-C...

General Information

Structure

Molecular Formula

C₆H₄ClNO₃

Molecular Mass

173.55386

Exact Mass

172.98797067

Charge

InChI

InChI=1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)

InChIKey

OLTRUTPHSBQWAZ-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1cnc(c(c1)Cl)O

Isomeric Smiles

c1(cnc(c(c1)Cl)O)C(=O)O

Calculated Properties

JChem

Acid pKa

3.7497027

H Acceptors

H Donor

LogD (pH = 5.5)

-0.44273156

LogD (pH = 7.4)

-1.9774655

Log P

1.3080932

Molar Refractivity

38.2565

Polarizability

14.474851

Polar Surface Area

70.42

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-chloro-6-hydroxypyridine-3-carboxylic acid

Synonyms

3-Chloro-2-hydroxypyridine-5-carboxylic acid3-Chloro-2-hydroxypyridine-5-carboxylic acid5-Chloro-6-hydroxynicotinic acid 98%5-氯-6-羟基吡啶-3-羧酸5-Chloro-6-hydroxynicotinic acid5-Chloro-6-hydroxypyridine-3-carboxylicacid5-氯-6-羟基烟酸5-Chloro-6-hydroxynicotinic acid5-Chloro-6-hydroxypyridine-3-carboxylic acid5-chloro-6-hydroxypyridine-3-carboxylic acid

IUPAC Traditional name

5-chloro-6-hydroxypyridine-3-carboxylic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID