[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

C20H13F6NO3 — CID 134618312

IUPAC[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H13F6NO3/c21-19(22,23)29-15-6-1-12(2-7-15)17-10-5-14(11-28)18(27-17)13-3-8-16(9-4-13)30-20(24,25)26/h1-10,28H,11H2
InChIKeyQJFYIGZIYUNAFA-UHFFFAOYSA-N
MW429.32 g/mol
LogP5.71
Rot. Bonds5

About [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (PubChem CID 134618312) has the molecular formula C20H13F6NO3 and a molecular weight of 429.32 g/mol. Its IUPAC name is [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
PubChem CID134618312
Molecular FormulaC20H13F6NO3
Molecular Weight429.32 g/mol
Exact Mass429.08
IUPAC Name[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H13F6NO3/c21-19(22,23)29-15-6-1-12(2-7-15)17-10-5-14(11-28)18(27-17)13-3-8-16(9-4-13)30-20(24,25)26/h1-10,28H,11H2
InChIKeyQJFYIGZIYUNAFA-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

[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134630815
2-[3,6-bis[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094083
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (CID 134618312) is [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is OCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The InChIKey is QJFYIGZIYUNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO3/c21-19(22,23)29-15-6-1-12(2-7-15)17-10-5-14(11-28)18(27-17)13-3-8-16(9-4-13)30-20(24,25)26/h1-10,28H,11H2.
What are the key properties of [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-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 [2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 134618312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).