EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	PWA96KQ36T
EPA CompTox	DTXSID40234448

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

PWA96KQ36T

EPA CompTox

DTXSID40234448


InChI Key	WSVYYUKIXFSDTE-UHFFFAOYSA-N
Smiles	FC=1C=CC(=CC1)C2=NC=C(C=C2)C
InChI	InChI=1/C12H10FN/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-8H,1H3

InChI Key

WSVYYUKIXFSDTE-UHFFFAOYSA-N

Smiles

FC=1C=CC(=CC1)C2=NC=C(C=C2)C

InChI

InChI=1/C12H10FN/c1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h2-8H,1H3

Property Name	Value
Molecular Formula	C12H10FN
Molecular Weight	187.08
AlogP	3.2
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	12.89
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H10FN

Molecular Weight

187.08

AlogP

3.2

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

12.89

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	85237-65-6
NORMAN SUSDAT
FDA SRS	PWA96KQ36T
PubChem	3020567

Resources

Reference

CAS NUMBER

85237-65-6

NORMAN SUSDAT

FDA SRS

PWA96KQ36T

PubChem

3020567

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-(4-FLUOROPHENYL)-5-METHYLPYRIDINE

Structure

Physicochemical Descriptors

Cross References