EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C6SN6RU851
EPA CompTox	DTXSID40206822

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C6SN6RU851

EPA CompTox

DTXSID40206822


InChI Key	RMHQDKYZXJVCME-UHFFFAOYSA-N
Smiles	N=1C=CC(=CC1)C=2N=CC=CC2
InChI	InChI=1/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H

InChI Key

RMHQDKYZXJVCME-UHFFFAOYSA-N

Smiles

N=1C=CC(=CC1)C=2N=CC=CC2

InChI

InChI=1/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H

Property Name	Value
Molecular Formula	C10H8N2
Molecular Weight	156.07
AlogP	2.14
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	25.78
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H8N2

Molecular Weight

156.07

AlogP

2.14

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

25.78

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	581-47-5
NORMAN SUSDAT
FDA SRS	C6SN6RU851
PubChem	68488

Resources

Reference

CAS NUMBER

581-47-5

NORMAN SUSDAT

FDA SRS

C6SN6RU851

PubChem

68488

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

2,4'-BIPYRIDINE

Structure

Physicochemical Descriptors

Cross References