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

C12H10F6N4O2 — CID 71515701

IUPAC2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(-c2nnc(C(C)(O)C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H10F6N4O2/c1-4-5(11(13,14)15)3-6(19)7(20-4)8-21-22-9(24-8)10(2,23)12(16,17)18/h3,23H,19H2,1-2H3
InChIKeyWIQHUQHSUZPFOM-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.81
Rot. Bonds2

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

2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71515701) has the molecular formula C12H10F6N4O2 and a molecular weight of 356.23 g/mol. Its IUPAC name is 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71515701
Molecular FormulaC12H10F6N4O2
Molecular Weight356.23 g/mol
Exact Mass356.07
IUPAC Name2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1nc(-c2nnc(C(C)(O)C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H10F6N4O2/c1-4-5(11(13,14)15)3-6(19)7(20-4)8-21-22-9(24-8)10(2,23)12(16,17)18/h3,23H,19H2,1-2H3
InChIKeyWIQHUQHSUZPFOM-UHFFFAOYSA-N
XLogP2.81
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71515701) is 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is Cc1nc(-c2nnc(C(C)(O)C(F)(F)F)o2)c(N)cc1C(F)(F)F.
What is the InChIKey of 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WIQHUQHSUZPFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N4O2/c1-4-5(11(13,14)15)3-6(19)7(20-4)8-21-22-9(24-8)10(2,23)12(16,17)18/h3,23H,19H2,1-2H3.
What are the key properties of 2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
2-[5-[3-amino-6-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 356.23 g/mol, XLogP of 2.81, 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-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71515701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).