EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RY75AX4S26
EPA CompTox	DTXSID40221398

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RY75AX4S26

EPA CompTox

DTXSID40221398


InChI Key	WSTOEGIEWBZMLU-UHFFFAOYSA-N
Smiles	Cc1cc(ccn1)c1cc(C)ncc1
InChI	InChI=1S/C12H12N2/c1-9-7-11(3-5-13-9)12-4-6-14-10(2)8-12/h3-8H,1-2H3

InChI Key

WSTOEGIEWBZMLU-UHFFFAOYSA-N

Smiles

Cc1cc(ccn1)c1cc(C)ncc1

InChI

InChI=1S/C12H12N2/c1-9-7-11(3-5-13-9)12-4-6-14-10(2)8-12/h3-8H,1-2H3

Property Name	Value
Molecular Formula	C12H12N2
Molecular Weight	184.1
AlogP	2.76
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	25.78
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H12N2

Molecular Weight

184.1

AlogP

2.76

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

25.78

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	712-61-8
NORMAN SUSDAT
FDA SRS	RY75AX4S26
PubChem	69737
ChemSpider	62937.0

Resources

Reference

CAS NUMBER

712-61-8

NORMAN SUSDAT

FDA SRS

RY75AX4S26

PubChem

69737

ChemSpider

62937.0

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

2,2'-DIMETHYL-4,4'-BIPYRIDINE

Structure

Physicochemical Descriptors

Cross References