2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

C13H8Cl2N4O — CID 107051015

IUPAC2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1c(Cl)cccc1-c1nc(-c2ccc(Cl)cn2)no1
InChIInChI=1S/C13H8Cl2N4O/c14-7-4-5-10(17-6-7)12-18-13(20-19-12)8-2-1-3-9(15)11(8)16/h1-6H,16H2
InChIKeyUPFSXCZNGKQQAF-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 107051015) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID107051015
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1c(Cl)cccc1-c1nc(-c2ccc(Cl)cn2)no1
InChIInChI=1S/C13H8Cl2N4O/c14-7-4-5-10(17-6-7)12-18-13(20-19-12)8-2-1-3-9(15)11(8)16/h1-6H,16H2
InChIKeyUPFSXCZNGKQQAF-UHFFFAOYSA-N
XLogP3.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.69
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

4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,6-dichloroaniline
CID 107051170
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 115528928
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
5-(2-amino-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107051145
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106526186
3-chloro-2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79783075
2-chloro-6-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107051211
2-chloro-6-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 107050642
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81497947
2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79719610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 107051015) is 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1c(Cl)cccc1-c1nc(-c2ccc(Cl)cn2)no1.
What is the InChIKey of 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is UPFSXCZNGKQQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-7-4-5-10(17-6-7)12-18-13(20-19-12)8-2-1-3-9(15)11(8)16/h1-6H,16H2.
What are the key properties of 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 307.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 107051015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).