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

C10H5BrF6N4O — CID 71515700

IUPAC6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)c(Br)nc1-c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H5BrF6N4O/c11-7-3(10(15,16)17)1-4(18)6(19-7)8-21-20-5(22-8)2-9(12,13)14/h1H,2,18H2
InChIKeyIZHFOJCLLGHOHL-UHFFFAOYSA-N
MW391.07 g/mol
LogP3.60
Rot. Bonds2

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

6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 71515700) has the molecular formula C10H5BrF6N4O and a molecular weight of 391.07 g/mol. Its IUPAC name is 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
PubChem CID71515700
Molecular FormulaC10H5BrF6N4O
Molecular Weight391.07 g/mol
Exact Mass389.96
IUPAC Name6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cc(C(F)(F)F)c(Br)nc1-c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C10H5BrF6N4O/c11-7-3(10(15,16)17)1-4(18)6(19-7)8-21-20-5(22-8)2-9(12,13)14/h1H,2,18H2
InChIKeyIZHFOJCLLGHOHL-UHFFFAOYSA-N
XLogP3.60
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 53.60
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

Methyl 3-amino-6-bromo-5-(trifluoromethyl)picolinate
CID 58964428
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
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
[[5-[3-Amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-phenylmethyl]carbamic acid
CID 89443746
(R)-[5-[6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-phenylmethanamine
CID 89443831
6-Bromo-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
CID 89445257

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine (CID 71515700) is 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine is Nc1cc(C(F)(F)F)c(Br)nc1-c1nnc(CC(F)(F)F)o1.
What is the InChIKey of 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is IZHFOJCLLGHOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF6N4O/c11-7-3(10(15,16)17)1-4(18)6(19-7)8-21-20-5(22-8)2-9(12,13)14/h1H,2,18H2.
What are the key properties of 6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine?
6-bromo-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 391.07 g/mol, XLogP of 3.60, 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-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 71515700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).