[6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

C14H10Cl2F3NO2 — CID 87111821

IUPAC[6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)c(Cl)n1
InChIInChI=1S/C14H10Cl2F3NO2/c15-9-3-1-8(2-4-9)11-5-10(6-21)20-13(16)12(11)22-7-14(17,18)19/h1-5,21H,6-7H2
InChIKeyXDLVHNWRWKPQRO-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.49
Rot. Bonds4

About [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

[6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 87111821) has the molecular formula C14H10Cl2F3NO2 and a molecular weight of 352.14 g/mol. Its IUPAC name is [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID87111821
Molecular FormulaC14H10Cl2F3NO2
Molecular Weight352.14 g/mol
Exact Mass351.00
IUPAC Name[6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)c(Cl)n1
InChIInChI=1S/C14H10Cl2F3NO2/c15-9-3-1-8(2-4-9)11-5-10(6-21)20-13(16)12(11)22-7-14(17,18)19/h1-5,21H,6-7H2
InChIKeyXDLVHNWRWKPQRO-UHFFFAOYSA-N
XLogP4.49
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 87111821) is [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is OCc1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)c(Cl)n1.
What is the InChIKey of [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is XDLVHNWRWKPQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2/c15-9-3-1-8(2-4-9)11-5-10(6-21)20-13(16)12(11)22-7-14(17,18)19/h1-5,21H,6-7H2.
What are the key properties of [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 352.14 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 87111821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).