2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline

C13H8ClFN4O — CID 103442788

IUPAC2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESNc1cccc(F)c1-c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H8ClFN4O/c14-7-3-2-6-17-11(7)12-18-13(20-19-12)10-8(15)4-1-5-9(10)16/h1-6H,16H2
InChIKeyYDFJMZOAAUEHOD-UHFFFAOYSA-N
MW290.69 g/mol
LogP3.17
Rot. Bonds2

About 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline

2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (PubChem CID 103442788) has the molecular formula C13H8ClFN4O and a molecular weight of 290.69 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
PubChem CID103442788
Molecular FormulaC13H8ClFN4O
Molecular Weight290.69 g/mol
Exact Mass290.04
IUPAC Name2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
SMILESNc1cccc(F)c1-c1nc(-c2ncccc2Cl)no1
InChIInChI=1S/C13H8ClFN4O/c14-7-3-2-6-17-11(7)12-18-13(20-19-12)10-8(15)4-1-5-9(10)16/h1-6H,16H2
InChIKeyYDFJMZOAAUEHOD-UHFFFAOYSA-N
XLogP3.17
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63722767
3-chloro-2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79783075
3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103442626
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103442682
4-chloro-3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103442570
3-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058186
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 103442621
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 103442639
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The IUPAC name of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline (CID 103442788) is 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline.
What is the SMILES notation for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The canonical SMILES for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is Nc1cccc(F)c1-c1nc(-c2ncccc2Cl)no1.
What is the InChIKey of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
The InChIKey is YDFJMZOAAUEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4O/c14-7-3-2-6-17-11(7)12-18-13(20-19-12)10-8(15)4-1-5-9(10)16/h1-6H,16H2.
What are the key properties of 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline?
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline has a molecular weight of 290.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline is sourced from PubChem (CID 103442788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).