2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole

C9H6F3N3O — CID 169166506

IUPAC2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(C(F)(F)F)ccn2)o1
InChIInChI=1S/C9H6F3N3O/c1-5-14-15-8(16-5)7-4-6(2-3-13-7)9(10,11)12/h2-4H,1H3
InChIKeyCVFKEXFKBFNGSC-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.46
Rot. Bonds1

About 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole

2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169166506) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID169166506
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc(C(F)(F)F)ccn2)o1
InChIInChI=1S/C9H6F3N3O/c1-5-14-15-8(16-5)7-4-6(2-3-13-7)9(10,11)12/h2-4H,1H3
InChIKeyCVFKEXFKBFNGSC-UHFFFAOYSA-N
XLogP2.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole (CID 169166506) is 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is Cc1nnc(-c2cc(C(F)(F)F)ccn2)o1.
What is the InChIKey of 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is CVFKEXFKBFNGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5-14-15-8(16-5)7-4-6(2-3-13-7)9(10,11)12/h2-4H,1H3.
What are the key properties of 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole?
2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 229.16 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169166506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).