EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6FE4UZ8ABP
EPA CompTox	DTXSID20211515

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6FE4UZ8ABP

EPA CompTox

DTXSID20211515


InChI Key	MJVZSRZTBDMYLX-UHFFFAOYSA-N
Smiles	Nc1ccc(Cl)nc1Cl
InChI	InChI=1S/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2

InChI Key

MJVZSRZTBDMYLX-UHFFFAOYSA-N

Smiles

Nc1ccc(Cl)nc1Cl

InChI

InChI=1S/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2

Property Name	Value
Molecular Formula	C5H4Cl2N2
Molecular Weight	161.98
AlogP	1.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	38.91
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H4Cl2N2

Molecular Weight

161.98

AlogP

1.97

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

38.91

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	62476-56-6
NORMAN SUSDAT
FDA SRS	6FE4UZ8ABP
PubChem	112846
ChemSpider	101140.0

Resources

Reference

CAS NUMBER

62476-56-6

NORMAN SUSDAT

FDA SRS

6FE4UZ8ABP

PubChem

112846

ChemSpider

101140.0

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

2,6-DICHLORO-3-PYRIDYLAMINE

Structure

Physicochemical Descriptors

Cross References