2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine

C15H10BrF3N4O — CID 71515696

IUPAC2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C15H10BrF3N4O/c16-13-9(15(17,18)19)7-10(20)12(21-13)14-23-22-11(24-14)6-8-4-2-1-3-5-8/h1-5,7H,6,20H2
InChIKeyZCPYJTVACTXCQN-UHFFFAOYSA-N
MW399.17 g/mol
LogP4.09
Rot. Bonds3

About 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine

2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 71515696) has the molecular formula C15H10BrF3N4O and a molecular weight of 399.17 g/mol. Its IUPAC name is 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine
PubChem CID71515696
Molecular FormulaC15H10BrF3N4O
Molecular Weight399.17 g/mol
Exact Mass398.00
IUPAC Name2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C15H10BrF3N4O/c16-13-9(15(17,18)19)7-10(20)12(21-13)14-23-22-11(24-14)6-8-4-2-1-3-5-8/h1-5,7H,6,20H2
InChIKeyZCPYJTVACTXCQN-UHFFFAOYSA-N
XLogP4.09
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.17
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine (CID 71515696) is 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZCPYJTVACTXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N4O/c16-13-9(15(17,18)19)7-10(20)12(21-13)14-23-22-11(24-14)6-8-4-2-1-3-5-8/h1-5,7H,6,20H2.
What are the key properties of 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine?
2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 399.17 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 71515696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).