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

C11H10BrF3N4O — CID 89445257

IUPAC6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1
InChIInChI=1S/C11H10BrF3N4O/c1-4(2)9-18-19-10(20-9)7-6(16)3-5(8(12)17-7)11(13,14)15/h3-4H,16H2,1-2H3
InChIKeyGVWWMJQXSFARGS-UHFFFAOYSA-N
MW351.13 g/mol
LogP3.62
Rot. Bonds2

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

6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 89445257) has the molecular formula C11H10BrF3N4O and a molecular weight of 351.13 g/mol. Its IUPAC name is 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID89445257
Molecular FormulaC11H10BrF3N4O
Molecular Weight351.13 g/mol
Exact Mass350.00
IUPAC Name6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1
InChIInChI=1S/C11H10BrF3N4O/c1-4(2)9-18-19-10(20-9)7-6(16)3-5(8(12)17-7)11(13,14)15/h3-4H,16H2,1-2H3
InChIKeyGVWWMJQXSFARGS-UHFFFAOYSA-N
XLogP3.62
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-Bromo-3-(2,5-dimethyl-pyrrol-1-yl)-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
CID 58442369
Methyl 3-amino-6-bromo-5-(trifluoromethyl)picolinate
CID 58964428
2-(5-(3-Amino-6-cyclopropyl-5-(trifluoromethyl)pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 71503452
2-(5-Benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine
CID 71515696
6-Bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 71515699
6-Bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 71515700
2-[5-[3-Amino-6-methyl-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
CID 71515701
2-[5-[3-Amino-6-bromo-5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
CID 71515702
2-(5-(3-Amino-6-bromo-5-(trifluoromethyl)pyridin-2-yl)-1,3,4-oxadiazol-2-yl)propan-2-ol
CID 71515755
2-[5-[(R)-amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-6-bromo-5-(trifluoromethyl)pyridin-3-amine
CID 71515813
2-[5-[Amino(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-6-bromo-5-(trifluoromethyl)pyridin-3-amine
CID 78094340
6-Bromo-2-(5-(1,1,1-trifluoro-2-(triisopropylsilyloxy)propan-2-yl)-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
CID 86729598

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine (CID 89445257) is 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine is CC(C)c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1.
What is the InChIKey of 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is GVWWMJQXSFARGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4O/c1-4(2)9-18-19-10(20-9)7-6(16)3-5(8(12)17-7)11(13,14)15/h3-4H,16H2,1-2H3.
What are the key properties of 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 351.13 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 89445257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).