[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

C20H13F6NO3 — CID 134617951

IUPAC[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccccc2OC(F)(F)F)ncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H13F6NO3/c21-19(22,23)29-17-7-3-1-5-13(17)15-10-27-16(9-12(15)11-28)14-6-2-4-8-18(14)30-20(24,25)26/h1-10,28H,11H2
InChIKeyZOYOFSIBLZVXOO-UHFFFAOYSA-N
MW429.32 g/mol
LogP5.71
Rot. Bonds5

About [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (PubChem CID 134617951) has the molecular formula C20H13F6NO3 and a molecular weight of 429.32 g/mol. Its IUPAC name is [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
PubChem CID134617951
Molecular FormulaC20H13F6NO3
Molecular Weight429.32 g/mol
Exact Mass429.08
IUPAC Name[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccccc2OC(F)(F)F)ncc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H13F6NO3/c21-19(22,23)29-17-7-3-1-5-13(17)15-10-27-16(9-12(15)11-28)14-6-2-4-8-18(14)30-20(24,25)26/h1-10,28H,11H2
InChIKeyZOYOFSIBLZVXOO-UHFFFAOYSA-N
XLogP5.71
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410
[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 172649054
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134620790
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133089327
[3,5-bis[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 134623328
[2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118848836
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
5-iodo-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134630200
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597

Frequently Asked Questions

What is the IUPAC name of [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (CID 134617951) is [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is OCc1cc(-c2ccccc2OC(F)(F)F)ncc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The InChIKey is ZOYOFSIBLZVXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO3/c21-19(22,23)29-17-7-3-1-5-13(17)15-10-27-16(9-12(15)11-28)14-6-2-4-8-18(14)30-20(24,25)26/h1-10,28H,11H2.
What are the key properties of [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol has a molecular weight of 429.32 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 134617951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).