EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OIY9I0GL3Z
EPA CompTox	DTXSID50145475

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OIY9I0GL3Z

EPA CompTox

DTXSID50145475


InChI Key	BJATUPPYBZHEIO-UHFFFAOYSA-N
Smiles	Cc1c(nccc1)c1ccccc1
InChI	InChI=1S/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3

InChI Key

BJATUPPYBZHEIO-UHFFFAOYSA-N

Smiles

Cc1c(nccc1)c1ccccc1

InChI

InChI=1S/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3

Property Name	Value
Molecular Formula	C12H11N1
Molecular Weight	169.09
AlogP	3.06
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	12.89
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C12H11N1

Molecular Weight

169.09

AlogP

3.06

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

12.89

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	10273-90-2
NORMAN SUSDAT
FDA SRS	OIY9I0GL3Z
PubChem	66302
ChemSpider	59681.0

Resources

Reference

CAS NUMBER

10273-90-2

NORMAN SUSDAT

FDA SRS

OIY9I0GL3Z

PubChem

66302

ChemSpider

59681.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

3-METHYL-2-PHENYLPYRIDINE

Structure

Physicochemical Descriptors

Cross References