6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine

C20H27BrF6N4O2Si — CID 86729598

IUPAC6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine
SMILESCC(C)[Si](OC(C)(c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C20H27BrF6N4O2Si/c1-9(2)34(10(3)4,11(5)6)33-18(7,20(25,26)27)17-31-30-16(32-17)14-13(28)8-12(15(21)29-14)19(22,23)24/h8-11H,28H2,1-7H3
InChIKeyRVFNVTAXGHEGHT-UHFFFAOYSA-N
MW577.44 g/mol
LogP7.46
Rot. Bonds7

About 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine

6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine (PubChem CID 86729598) has the molecular formula C20H27BrF6N4O2Si and a molecular weight of 577.44 g/mol. Its IUPAC name is 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine
PubChem CID86729598
Molecular FormulaC20H27BrF6N4O2Si
Molecular Weight577.44 g/mol
Exact Mass576.10
IUPAC Name6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine
SMILESCC(C)[Si](OC(C)(c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1)C(F)(F)F)(C(C)C)C(C)C
InChIInChI=1S/C20H27BrF6N4O2Si/c1-9(2)34(10(3)4,11(5)6)33-18(7,20(25,26)27)17-31-30-16(32-17)14-13(28)8-12(15(21)29-14)19(22,23)24/h8-11H,28H2,1-7H3
InChIKeyRVFNVTAXGHEGHT-UHFFFAOYSA-N
XLogP7.46
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.44
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
The IUPAC name of 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine (CID 86729598) is 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
The canonical SMILES for 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine is CC(C)[Si](OC(C)(c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1)C(F)(F)F)(C(C)C)C(C)C.
What is the InChIKey of 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
The InChIKey is RVFNVTAXGHEGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrF6N4O2Si/c1-9(2)34(10(3)4,11(5)6)33-18(7,20(25,26)27)17-31-30-16(32-17)14-13(28)8-12(15(21)29-14)19(22,23)24/h8-11H,28H2,1-7H3.
What are the key properties of 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine has a molecular weight of 577.44 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(trifluoromethyl)-2-[5-[1,1,1-trifluoro-2-tri(propan-2-yl)silyloxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 86729598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).