EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7Z5V74623S
EPA CompTox	DTXSID80149946

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7Z5V74623S

EPA CompTox

DTXSID80149946


InChI Key	AMQJAKKATFMFTR-UHFFFAOYSA-N
Smiles	Cc1nc(C)c(O)cc1
InChI	InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3

InChI Key

AMQJAKKATFMFTR-UHFFFAOYSA-N

Smiles

Cc1nc(C)c(O)cc1

InChI

InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3

Property Name	Value
Molecular Formula	C7H9N1O1
Molecular Weight	123.07
AlogP	1.4
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.12
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H9N1O1

Molecular Weight

123.07

AlogP

1.4

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.12

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	1122-43-6
NORMAN SUSDAT
FDA SRS	7Z5V74623S
PubChem	70732
ChemSpider	63897.0

Resources

Reference

CAS NUMBER

1122-43-6

NORMAN SUSDAT

FDA SRS

7Z5V74623S

PubChem

70732

ChemSpider

63897.0

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

2,6-DIMETHYL-3-OXYPYRIDINE

Structure

Physicochemical Descriptors

Cross References