(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C13H9ClF3NO — CID 20794849

IUPAC(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9ClF3NO/c14-10-4-1-8(2-5-10)12(19)9-3-6-11(18-7-9)13(15,16)17/h1-7,12,19H
InChIKeyGTZPTFRDKAQBBD-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.84
Rot. Bonds2

About (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 20794849) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID20794849
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H9ClF3NO/c14-10-4-1-8(2-5-10)12(19)9-3-6-11(18-7-9)13(15,16)17/h1-7,12,19H
InChIKeyGTZPTFRDKAQBBD-UHFFFAOYSA-N
XLogP3.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 20794849) is (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GTZPTFRDKAQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-10-4-1-8(2-5-10)12(19)9-3-6-11(18-7-9)13(15,16)17/h1-7,12,19H.
What are the key properties of (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
(4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 287.67 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 20794849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).