5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

C14H7ClFN5O — CID 53173211

IUPAC5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4nncn4c3)no2)c(Cl)c1
InChIInChI=1S/C14H7ClFN5O/c15-11-5-9(16)2-3-10(11)14-18-13(20-22-14)8-1-4-12-19-17-7-21(12)6-8/h1-7H
InChIKeyKLKVJIORIHRVPC-UHFFFAOYSA-N
MW315.70 g/mol
LogP3.24
Rot. Bonds2

About 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole

5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (PubChem CID 53173211) has the molecular formula C14H7ClFN5O and a molecular weight of 315.70 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
PubChem CID53173211
Molecular FormulaC14H7ClFN5O
Molecular Weight315.70 g/mol
Exact Mass315.03
IUPAC Name5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3ccc4nncn4c3)no2)c(Cl)c1
InChIInChI=1S/C14H7ClFN5O/c15-11-5-9(16)2-3-10(11)14-18-13(20-22-14)8-1-4-12-19-17-7-21(12)6-8/h1-7H
InChIKeyKLKVJIORIHRVPC-UHFFFAOYSA-N
XLogP3.24
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole (CID 53173211) is 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3ccc4nncn4c3)no2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
The InChIKey is KLKVJIORIHRVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN5O/c15-11-5-9(16)2-3-10(11)14-18-13(20-22-14)8-1-4-12-19-17-7-21(12)6-8/h1-7H.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole?
5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole has a molecular weight of 315.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53173211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).