EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FZP4NJG7BB
EPA CompTox	DTXSID00194978

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FZP4NJG7BB

EPA CompTox

DTXSID00194978


InChI Key	AMSLPXHLKHZWBJ-UHFFFAOYSA-N
Smiles	CCOc1cccc(Cl)n1
InChI	InChI=1S/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3

InChI Key

AMSLPXHLKHZWBJ-UHFFFAOYSA-N

Smiles

CCOc1cccc(Cl)n1

InChI

InChI=1S/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3

Property Name	Value
Molecular Formula	C7H8Cl1N1O1
Molecular Weight	157.03
AlogP	2.13
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	22.12
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H8Cl1N1O1

Molecular Weight

157.03

AlogP

2.13

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

22.12

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	42144-78-5
NORMAN SUSDAT
FDA SRS	FZP4NJG7BB
PubChem	98563
ChemSpider	89011.0

Resources

Reference

CAS NUMBER

42144-78-5

NORMAN SUSDAT

FDA SRS

FZP4NJG7BB

PubChem

98563

ChemSpider

89011.0

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-CHLORO-6-ETHOXYPYRIDINE

Structure

Physicochemical Descriptors

Cross References