3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

C14H6Cl2N4O — CID 106523489

IUPAC3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ncc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C14H6Cl2N4O/c15-10-5-11(16)12(18-7-10)13-19-14(21-20-13)9-3-1-2-8(4-9)6-17/h1-5,7H
InChIKeyKFGYVINECHYIJB-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.98
Rot. Bonds2

About 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 106523489) has the molecular formula C14H6Cl2N4O and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID106523489
Molecular FormulaC14H6Cl2N4O
Molecular Weight317.14 g/mol
Exact Mass315.99
IUPAC Name3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ncc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C14H6Cl2N4O/c15-10-5-11(16)12(18-7-10)13-19-14(21-20-13)9-3-1-2-8(4-9)6-17/h1-5,7H
InChIKeyKFGYVINECHYIJB-UHFFFAOYSA-N
XLogP3.98
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524717
3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526038
ethane;3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 91230916
3-chloro-2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79783075
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 113233875
3-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677191
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
CID 18612646
3-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677257
3-[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 28871798
3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676718
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 106523489) is 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3ncc(Cl)cc3Cl)no2)c1.
What is the InChIKey of 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is KFGYVINECHYIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2N4O/c15-10-5-11(16)12(18-7-10)13-19-14(21-20-13)9-3-1-2-8(4-9)6-17/h1-5,7H.
What are the key properties of 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 317.14 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 106523489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).