EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	U2S8C7U4ER
EPA CompTox	DTXSID00340938

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

U2S8C7U4ER

EPA CompTox

DTXSID00340938


InChI Key	QRXBTPFMCTXCRD-UHFFFAOYSA-N
Smiles	Clc1cc(ccn1)C#N
InChI	InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H

InChI Key

QRXBTPFMCTXCRD-UHFFFAOYSA-N

Smiles

Clc1cc(ccn1)C#N

InChI

InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H

Property Name	Value
Molecular Formula	C6H3Cl1N2
Molecular Weight	138.0
AlogP	1.61
Hydrogen Bond Acceptor	2.0
Polar Surface Area	36.68
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H3Cl1N2

Molecular Weight

138.0

AlogP

1.61

Hydrogen Bond Acceptor

2.0

Polar Surface Area

36.68

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	33252-30-1
NORMAN SUSDAT
FDA SRS	U2S8C7U4ER

Resources

Reference

CAS NUMBER

33252-30-1

NORMAN SUSDAT

FDA SRS

U2S8C7U4ER

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-4-CYANOPYRIDINE

Structure

Physicochemical Descriptors

Cross References