[4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol

C13H12F3NO — CID 68681813

IUPAC[4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol
SMILESOCC1(c2ccccc2C(F)(F)F)C=CN=CC1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)11-4-2-1-3-10(11)12(9-18)5-7-17-8-6-12/h1-5,7-8,18H,6,9H2
InChIKeyBMZIPJVXXDWSLI-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.92
Rot. Bonds2

About [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol

[4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol (PubChem CID 68681813) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol
PubChem CID68681813
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name[4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol
SMILESOCC1(c2ccccc2C(F)(F)F)C=CN=CC1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)11-4-2-1-3-10(11)12(9-18)5-7-17-8-6-12/h1-5,7-8,18H,6,9H2
InChIKeyBMZIPJVXXDWSLI-UHFFFAOYSA-N
XLogP2.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol?
The IUPAC name of [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol (CID 68681813) is [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol.
What is the SMILES notation for [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol?
The canonical SMILES for [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol is OCC1(c2ccccc2C(F)(F)F)C=CN=CC1.
What is the InChIKey of [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol?
The InChIKey is BMZIPJVXXDWSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)11-4-2-1-3-10(11)12(9-18)5-7-17-8-6-12/h1-5,7-8,18H,6,9H2.
What are the key properties of [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol?
[4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol has a molecular weight of 255.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)phenyl]-3H-pyridin-4-yl]methanol is sourced from PubChem (CID 68681813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).