EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80200748

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80200748


InChI Key	CDDCESLWCVAQMG-UHFFFAOYSA-N
Smiles	Oc1c(Cl)nc(Cl)cc1
InChI	InChI=1S/C5H3Cl2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H

InChI Key

CDDCESLWCVAQMG-UHFFFAOYSA-N

Smiles

Oc1c(Cl)nc(Cl)cc1

InChI

InChI=1S/C5H3Cl2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H

Property Name	Value
Molecular Formula	C5H3Cl2N1O1
Molecular Weight	162.96
AlogP	2.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.12
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H3Cl2N1O1

Molecular Weight

162.96

AlogP

2.09

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.12

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	52764-11-1
NORMAN SUSDAT
PubChem	104317
ChemSpider	94177.0

Resources

Reference

CAS NUMBER

52764-11-1

NORMAN SUSDAT

PubChem

104317

ChemSpider

94177.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,6-DICHLOROPYRIDIN-3-OL

Structure

Physicochemical Descriptors

Cross References