EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D5QE8XW52U
EPA CompTox	DTXSID5022144

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D5QE8XW52U

EPA CompTox

DTXSID5022144


InChI Key	WGOLHUGPTDEKCF-UHFFFAOYSA-N
Smiles	Nc1ncc(Br)cc1
InChI	InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)

InChI Key

WGOLHUGPTDEKCF-UHFFFAOYSA-N

Smiles

Nc1ncc(Br)cc1

InChI

InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)

Property Name	Value
Molecular Formula	C5H5Br1N2
Molecular Weight	171.96
AlogP	1.26
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	39.64
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H5Br1N2

Molecular Weight

171.96

AlogP

1.26

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

39.64

Heavy Atoms

8.0

Resources	Reference
CAS NUMBER	1072-97-5
NORMAN SUSDAT
FDA SRS	D5QE8XW52U
PubChem	70622
ChemSpider	63790.0

Resources

Reference

CAS NUMBER

1072-97-5

NORMAN SUSDAT

FDA SRS

D5QE8XW52U

PubChem

70622

ChemSpider

63790.0

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-AMINO-5-BROMOPYRIDINE

Structure

Physicochemical Descriptors

Cross References