EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50232596

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50232596


InChI Key	PCVPVMZNHMYIDP-UHFFFAOYSA-N
Smiles	COc1ccc(Cl)c(Cl)n1
InChI	InChI=1S/C6H5Cl2NO/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3

InChI Key

PCVPVMZNHMYIDP-UHFFFAOYSA-N

Smiles

COc1ccc(Cl)c(Cl)n1

InChI

InChI=1S/C6H5Cl2NO/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3

Property Name	Value
Molecular Formula	C6H5Cl2N1O1
Molecular Weight	176.97
AlogP	2.4
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	22.12
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H5Cl2N1O1

Molecular Weight

176.97

AlogP

2.4

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

22.12

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	83732-68-7
NORMAN SUSDAT
PubChem	3019245
ChemSpider	2286535.0

Resources

Reference

CAS NUMBER

83732-68-7

NORMAN SUSDAT

PubChem

3019245

ChemSpider

2286535.0

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...

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Last update: Monday, 3 November 2025

2,3-DICHLORO-6-METHOXYPYRIDINE

Structure

Physicochemical Descriptors

Cross References