[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol

C11H10F3N3O2 — CID 138006249

IUPAC[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol
SMILESOCc1cc(-c2nc(CCC(F)(F)F)no2)ccn1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)3-1-9-16-10(19-17-9)7-2-4-15-8(5-7)6-18/h2,4-5,18H,1,3,6H2
InChIKeyPMQNQTXYHGZLGM-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.12
Rot. Bonds4

About [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol

[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol (PubChem CID 138006249) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol
PubChem CID138006249
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol
SMILESOCc1cc(-c2nc(CCC(F)(F)F)no2)ccn1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)3-1-9-16-10(19-17-9)7-2-4-15-8(5-7)6-18/h2,4-5,18H,1,3,6H2
InChIKeyPMQNQTXYHGZLGM-UHFFFAOYSA-N
XLogP2.12
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79954732
2-methyl-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79954570
2-fluoro-5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79953704
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79954394
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904172
4-fluoro-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011417
2-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830187
[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
4,5-difluoro-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79955016
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324906
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324949

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol?
The IUPAC name of [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol (CID 138006249) is [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol is OCc1cc(-c2nc(CCC(F)(F)F)no2)ccn1.
What is the InChIKey of [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol?
The InChIKey is PMQNQTXYHGZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)3-1-9-16-10(19-17-9)7-2-4-15-8(5-7)6-18/h2,4-5,18H,1,3,6H2.
What are the key properties of [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol?
[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol has a molecular weight of 273.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 138006249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).