[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol

C22H17F6NO2 — CID 58401318

IUPAC[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(-c2cc(CO)ccn2)c(CO)c1
InChIInChI=1S/C22H17F6NO2/c1-12-6-16(21(23,24)25)9-18(22(26,27)28)20(12)14-2-3-17(15(8-14)11-31)19-7-13(10-30)4-5-29-19/h2-9,30-31H,10-11H2,1H3
InChIKeyHIFKCQDWWKPMHL-UHFFFAOYSA-N
MW441.37 g/mol
LogP5.75
Rot. Bonds4

About [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol

[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol (PubChem CID 58401318) has the molecular formula C22H17F6NO2 and a molecular weight of 441.37 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol
PubChem CID58401318
Molecular FormulaC22H17F6NO2
Molecular Weight441.37 g/mol
Exact Mass441.12
IUPAC Name[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(-c2cc(CO)ccn2)c(CO)c1
InChIInChI=1S/C22H17F6NO2/c1-12-6-16(21(23,24)25)9-18(22(26,27)28)20(12)14-2-3-17(15(8-14)11-31)19-7-13(10-30)4-5-29-19/h2-9,30-31H,10-11H2,1H3
InChIKeyHIFKCQDWWKPMHL-UHFFFAOYSA-N
XLogP5.75
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethyl)-2-pyridinyl]-3-methylphenol
CID 136623405
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
CID 58939585
[2-[2-(hydroxymethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;platinum
CID 58401251
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054
[2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 118802410
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol (CID 58401318) is [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol is Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(-c2cc(CO)ccn2)c(CO)c1.
What is the InChIKey of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol?
The InChIKey is HIFKCQDWWKPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6NO2/c1-12-6-16(21(23,24)25)9-18(22(26,27)28)20(12)14-2-3-17(15(8-14)11-31)19-7-13(10-30)4-5-29-19/h2-9,30-31H,10-11H2,1H3.
What are the key properties of [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol?
[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol has a molecular weight of 441.37 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 58401318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).