[3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol

C13H9ClF3NO2 — CID 61255860

IUPAC[3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol
SMILESOCc1nc(Oc2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H9ClF3NO2/c14-9-5-6-12(18-10(9)7-19)20-11-4-2-1-3-8(11)13(15,16)17/h1-6,19H,7H2
InChIKeyKSUGUINUTLWXCC-UHFFFAOYSA-N
MW303.67 g/mol
LogP4.04
Rot. Bonds3

About [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol

[3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol (PubChem CID 61255860) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol
PubChem CID61255860
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name[3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol
SMILESOCc1nc(Oc2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H9ClF3NO2/c14-9-5-6-12(18-10(9)7-19)20-11-4-2-1-3-8(11)13(15,16)17/h1-6,19H,7H2
InChIKeyKSUGUINUTLWXCC-UHFFFAOYSA-N
XLogP4.04
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol (CID 61255860) is [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol is OCc1nc(Oc2ccccc2C(F)(F)F)ccc1Cl.
What is the InChIKey of [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol?
The InChIKey is KSUGUINUTLWXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c14-9-5-6-12(18-10(9)7-19)20-11-4-2-1-3-8(11)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol?
[3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol has a molecular weight of 303.67 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 61255860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).