6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C15H9F7N4O — CID 155338322

IUPAC6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(Oc1ncc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1F)C(F)(F)F
InChIInChI=1S/C15H9F7N4O/c1-7(14(17,18)19)27-12-10(16)4-9(5-23-12)8-2-3-11-24-25-13(15(20,21)22)26(11)6-8/h2-7H,1H3
InChIKeyVDEKKOBHAPZUNM-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.28
Rot. Bonds3

About 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 155338322) has the molecular formula C15H9F7N4O and a molecular weight of 394.25 g/mol. Its IUPAC name is 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID155338322
Molecular FormulaC15H9F7N4O
Molecular Weight394.25 g/mol
Exact Mass394.07
IUPAC Name6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(Oc1ncc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1F)C(F)(F)F
InChIInChI=1S/C15H9F7N4O/c1-7(14(17,18)19)27-12-10(16)4-9(5-23-12)8-2-3-11-24-25-13(15(20,21)22)26(11)6-8/h2-7H,1H3
InChIKeyVDEKKOBHAPZUNM-UHFFFAOYSA-N
XLogP4.28
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 155338322) is 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(Oc1ncc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1F)C(F)(F)F.
What is the InChIKey of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VDEKKOBHAPZUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7N4O/c1-7(14(17,18)19)27-12-10(16)4-9(5-23-12)8-2-3-11-24-25-13(15(20,21)22)26(11)6-8/h2-7H,1H3.
What are the key properties of 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 394.25 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 155338322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).