[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol

C13H8Cl2F3NO — CID 118830580

IUPAC[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-8-2-1-3-9(15)11(8)12-7(6-20)4-5-10(19-12)13(16,17)18/h1-5,20H,6H2
InChIKeyLYCBQOLOSHDMIT-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.57
Rot. Bonds2

About [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol

[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118830580) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118830580
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-8-2-1-3-9(15)11(8)12-7(6-20)4-5-10(19-12)13(16,17)18/h1-5,20H,6H2
InChIKeyLYCBQOLOSHDMIT-UHFFFAOYSA-N
XLogP4.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 118830580) is [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol is OCc1ccc(C(F)(F)F)nc1-c1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is LYCBQOLOSHDMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-8-2-1-3-9(15)11(8)12-7(6-20)4-5-10(19-12)13(16,17)18/h1-5,20H,6H2.
What are the key properties of [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 322.11 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118830580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).