[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol

C13H9ClF3NO — CID 86638761

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H9ClF3NO/c14-12-9(6-7-10(18-12)13(15,16)17)11(19)8-4-2-1-3-5-8/h1-7,11,19H
InChIKeyLVRCBAHPKQLUGF-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.84
Rot. Bonds2

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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol (PubChem CID 86638761) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol
PubChem CID86638761
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H9ClF3NO/c14-12-9(6-7-10(18-12)13(15,16)17)11(19)8-4-2-1-3-5-8/h1-7,11,19H
InChIKeyLVRCBAHPKQLUGF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol (CID 86638761) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol is OC(c1ccccc1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol?
The InChIKey is LVRCBAHPKQLUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-12-9(6-7-10(18-12)13(15,16)17)11(19)8-4-2-1-3-5-8/h1-7,11,19H.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol 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 [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 86638761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).