5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C13H6BrCl2FN4O — CID 118110134

IUPAC5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1
InChIInChI=1S/C13H6BrCl2FN4O/c14-5-3-6(11(18)19-4-5)12-20-21-13(22-12)9-7(15)1-2-8(17)10(9)16/h1-4H,(H2,18,19)
InChIKeyDUGGPLMYQKYYGO-UHFFFAOYSA-N
MW404.03 g/mol
LogP4.59
Rot. Bonds2

About 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 118110134) has the molecular formula C13H6BrCl2FN4O and a molecular weight of 404.03 g/mol. Its IUPAC name is 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID118110134
Molecular FormulaC13H6BrCl2FN4O
Molecular Weight404.03 g/mol
Exact Mass401.91
IUPAC Name5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1
InChIInChI=1S/C13H6BrCl2FN4O/c14-5-3-6(11(18)19-4-5)12-20-21-13(22-12)9-7(15)1-2-8(17)10(9)16/h1-4H,(H2,18,19)
InChIKeyDUGGPLMYQKYYGO-UHFFFAOYSA-N
XLogP4.59
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.03
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 118110134) is 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is Nc1ncc(Br)cc1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1.
What is the InChIKey of 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is DUGGPLMYQKYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2FN4O/c14-5-3-6(11(18)19-4-5)12-20-21-13(22-12)9-7(15)1-2-8(17)10(9)16/h1-4H,(H2,18,19).
What are the key properties of 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 404.03 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 118110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).