EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L7C4XR826C
EPA CompTox	DTXSID60174256

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L7C4XR826C

EPA CompTox

DTXSID60174256


InChI Key	WJRVHFJZHFWCMS-UHFFFAOYSA-N
Smiles	Cc1ccc(O)c(N)n1
InChI	InChI=1S/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8)

InChI Key

WJRVHFJZHFWCMS-UHFFFAOYSA-N

Smiles

Cc1ccc(O)c(N)n1

InChI

InChI=1S/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8)

Property Name	Value
Molecular Formula	C6H8N2O1
Molecular Weight	124.06
AlogP	0.68
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	59.14
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H8N2O1

Molecular Weight

124.06

AlogP

0.68

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Polar Surface Area

59.14

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	20348-16-7
NORMAN SUSDAT
FDA SRS	L7C4XR826C
PubChem	88500
ChemSpider	79851.0

Resources

Reference

CAS NUMBER

20348-16-7

NORMAN SUSDAT

FDA SRS

L7C4XR826C

PubChem

88500

ChemSpider

79851.0

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-AMINO-6-METHYLPYRIDIN-3-OL

Structure

Physicochemical Descriptors

Cross References