CAS 56187-37-2|(3,5-dichloro-4-oxopyridin-1-yl)acetic acid|2-(3,5-dichloro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid|3,5-Dichloropyridin-4-one-1-acetic acid|3,5-DICHLORO-4-AMINOBENZOIC ACID|3,5-Dich...

Molecular Formula

C₇H₅Cl₂NO₃

Molecular Mass

222.0255

Exact Mass

220.96464839

InChI

InChI=1S/C7H5Cl2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)

InChIKey

MFMXEEQESUEMSB-UHFFFAOYSA-N

Canonic Smiles

OC(=O)Cn1cc(Cl)c(=O)c(c1)Cl

Isomeric Smiles

n1(cc(Cl)c(=O)c(c1)Cl)CC(=O)O

JChem

Acid pKa

3.3712528

H Acceptors

H Donor

LogD (pH = 5.5)

-0.6586832

LogD (pH = 7.4)

-1.9536499

Log P

1.4563541

Molar Refractivity

48.5783

Polarizability

18.109842

Polar Surface Area

57.61

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

92052

IUPAC Traditional name

(3,5-dichloro-4-oxopyridin-1-yl)acetic acid

IUPAC name

2-(3,5-dichloro-4-oxo-1,4-dihydropyridin-1-yl)acetic acid

Synonyms

3,5-Dichloropyridin-4-one-1-acetic acid3,5-DICHLORO-4-AMINOBENZOIC ACID3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid3,5-Dichloro-4-pyridone-1-acetic acid3,5-二氯-4-吡啶酮-1-乙酸2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid3,5-Dichloro-4-pyridone-N-acetic acid

MDL Number

MFCD02180547

CAS Number

56187-37-2

PubChem SID

162040226