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

C15H9BrF4N4O — CID 71515699

IUPAC6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H9BrF4N4O/c16-13-9(15(18,19)20)6-10(21)12(22-13)14-24-23-11(25-14)5-7-1-3-8(17)4-2-7/h1-4,6H,5,21H2
InChIKeyIHIINHACUFECAC-UHFFFAOYSA-N
MW417.16 g/mol
LogP4.22
Rot. Bonds3

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

6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 71515699) has the molecular formula C15H9BrF4N4O and a molecular weight of 417.16 g/mol. Its IUPAC name is 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
PubChem CID71515699
Molecular FormulaC15H9BrF4N4O
Molecular Weight417.16 g/mol
Exact Mass415.99
IUPAC Name6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H9BrF4N4O/c16-13-9(15(18,19)20)6-10(21)12(22-13)14-24-23-11(25-14)5-7-1-3-8(17)4-2-7/h1-4,6H,5,21H2
InChIKeyIHIINHACUFECAC-UHFFFAOYSA-N
XLogP4.22
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.16
LogP ≤ 54.22
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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Related Compounds

1-(5-(6-Bromopyridin-2-yl)-1,3,4-oxadiazol-2-yl)-7-phenylheptan-1-one
CID 24949078
N-[[5-(6-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-4-isocyano-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 57771141
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
3-(5-Benzyl-1,3,4-oxadiazol-2-yl)-5-bromo-6-(trifluoromethyl)pyrazin-2-amine
CID 71515635
2-(5-Benzyl-1,3,4-oxadiazol-2-yl)-6-bromo-5-(trifluoromethyl)pyridin-3-amine
CID 71515696
2-(5-Benzyl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
CID 71515697
2-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 71515698
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine (CID 71515699) is 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)c(Br)nc1-c1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is IHIINHACUFECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF4N4O/c16-13-9(15(18,19)20)6-10(21)12(22-13)14-24-23-11(25-14)5-7-1-3-8(17)4-2-7/h1-4,6H,5,21H2.
What are the key properties of 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 417.16 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 71515699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).