EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70199995

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70199995


InChI Key	UXIPFCIFZLFXNC-UHFFFAOYSA-N
Smiles	CCOc1ccc(N)cn1
InChI	InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3

InChI Key

UXIPFCIFZLFXNC-UHFFFAOYSA-N

Smiles

CCOc1ccc(N)cn1

InChI

InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3

Property Name	Value
Molecular Formula	C7H10N2O1
Molecular Weight	138.08
AlogP	1.06
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	48.14
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H10N2O1

Molecular Weight

138.08

AlogP

1.06

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

48.14

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	52025-34-0
NORMAN SUSDAT
PubChem	3040301
ChemSpider	2303683.0

Resources

Reference

CAS NUMBER

52025-34-0

NORMAN SUSDAT

PubChem

3040301

ChemSpider

2303683.0

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

PYRIDINE, 5-AMINO-2-ETHOXY-

Structure

Physicochemical Descriptors

Cross References