EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R2GYX48BG7
EPA CompTox	DTXSID80379089

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R2GYX48BG7

EPA CompTox

DTXSID80379089


InChI Key	RXTRRIFWCJEMEL-UHFFFAOYSA-N
Smiles	ClC(=O)c1cccnc1Cl
InChI	InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H

InChI Key

RXTRRIFWCJEMEL-UHFFFAOYSA-N

Smiles

ClC(=O)c1cccnc1Cl

InChI

InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H

Property Name	Value
Molecular Formula	C6H3Cl2N1O1
Molecular Weight	174.96
AlogP	2.11
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	29.96
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H3Cl2N1O1

Molecular Weight

174.96

AlogP

2.11

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

29.96

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	49609-84-9
NORMAN SUSDAT
FDA SRS	R2GYX48BG7

Resources

Reference

CAS NUMBER

49609-84-9

NORMAN SUSDAT

FDA SRS

R2GYX48BG7

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-CHLORO-3-PYRIDINECARBONYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References