2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol

C11H10BrF3N4O2 — CID 71515755

IUPAC2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1
InChIInChI=1S/C11H10BrF3N4O2/c1-10(2,20)9-19-18-8(21-9)6-5(16)3-4(7(12)17-6)11(13,14)15/h3,20H,16H2,1-2H3
InChIKeyGXAUSGXVGWVBKQ-UHFFFAOYSA-N
MW367.13 g/mol
LogP2.72
Rot. Bonds2

About 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol

2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol (PubChem CID 71515755) has the molecular formula C11H10BrF3N4O2 and a molecular weight of 367.13 g/mol. Its IUPAC name is 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol
PubChem CID71515755
Molecular FormulaC11H10BrF3N4O2
Molecular Weight367.13 g/mol
Exact Mass365.99
IUPAC Name2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1
InChIInChI=1S/C11H10BrF3N4O2/c1-10(2,20)9-19-18-8(21-9)6-5(16)3-4(7(12)17-6)11(13,14)15/h3,20H,16H2,1-2H3
InChIKeyGXAUSGXVGWVBKQ-UHFFFAOYSA-N
XLogP2.72
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.13
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol (CID 71515755) is 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol is CC(C)(O)c1nnc(-c2nc(Br)c(C(F)(F)F)cc2N)o1.
What is the InChIKey of 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol?
The InChIKey is GXAUSGXVGWVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4O2/c1-10(2,20)9-19-18-8(21-9)6-5(16)3-4(7(12)17-6)11(13,14)15/h3,20H,16H2,1-2H3.
What are the key properties of 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol?
2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol has a molecular weight of 367.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-amino-6-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]propan-2-ol is sourced from PubChem (CID 71515755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).