[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol

C13H10F3NO — CID 50972993

IUPAC[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12-3-1-2-11(17-12)10-6-4-9(8-18)5-7-10/h1-7,18H,8H2
InChIKeyNPUIOUUQHYDJJS-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.26
Rot. Bonds2

About [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol

[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol (PubChem CID 50972993) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol
PubChem CID50972993
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12-3-1-2-11(17-12)10-6-4-9(8-18)5-7-10/h1-7,18H,8H2
InChIKeyNPUIOUUQHYDJJS-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol (CID 50972993) is [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol is OCc1ccc(-c2cccc(C(F)(F)F)n2)cc1.
What is the InChIKey of [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol?
The InChIKey is NPUIOUUQHYDJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)12-3-1-2-11(17-12)10-6-4-9(8-18)5-7-10/h1-7,18H,8H2.
What are the key properties of [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol?
[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol has a molecular weight of 253.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 50972993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).