2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole

C9H7BrClN3O — CID 62958955

IUPAC2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2ccc(Br)cn2)o1
InChIInChI=1S/C9H7BrClN3O/c1-5(11)8-13-14-9(15-8)7-3-2-6(10)4-12-7/h2-5H,1H3
InChIKeyOADHTPMQPANREW-UHFFFAOYSA-N
MW288.53 g/mol
LogP3.19
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole

2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole (PubChem CID 62958955) has the molecular formula C9H7BrClN3O and a molecular weight of 288.53 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
PubChem CID62958955
Molecular FormulaC9H7BrClN3O
Molecular Weight288.53 g/mol
Exact Mass286.95
IUPAC Name2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2ccc(Br)cn2)o1
InChIInChI=1S/C9H7BrClN3O/c1-5(11)8-13-14-9(15-8)7-3-2-6(10)4-12-7/h2-5H,1H3
InChIKeyOADHTPMQPANREW-UHFFFAOYSA-N
XLogP3.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole (CID 62958955) is 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2ccc(Br)cn2)o1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
The InChIKey is OADHTPMQPANREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O/c1-5(11)8-13-14-9(15-8)7-3-2-6(10)4-12-7/h2-5H,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole?
2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole has a molecular weight of 288.53 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62958955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).