[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol

C7H5ClF3NO — CID 112623595

IUPAC[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H5ClF3NO/c8-6-2-4(7(9,10)11)1-5(3-13)12-6/h1-2,13H,3H2
InChIKeyGMFLYTWXOJUEMK-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.25
Rot. Bonds1

About [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol

[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 112623595) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID112623595
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H5ClF3NO/c8-6-2-4(7(9,10)11)1-5(3-13)12-6/h1-2,13H,3H2
InChIKeyGMFLYTWXOJUEMK-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.25
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 [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 112623595) is [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol is OCc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is GMFLYTWXOJUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-6-2-4(7(9,10)11)1-5(3-13)12-6/h1-2,13H,3H2.
What are the key properties of [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol?
[6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 211.57 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 112623595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).