[6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

C15H12Cl2F3NO2 — CID 86663142

IUPAC[6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(-c2cc(CO)nc(Cl)c2OCC(F)(F)F)cc1Cl
InChIInChI=1S/C15H12Cl2F3NO2/c1-8-2-3-9(4-12(8)16)11-5-10(6-22)21-14(17)13(11)23-7-15(18,19)20/h2-5,22H,6-7H2,1H3
InChIKeyRXKSEDXBMGYRFL-UHFFFAOYSA-N
MW366.17 g/mol
LogP4.80
Rot. Bonds4

About [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol

[6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (PubChem CID 86663142) has the molecular formula C15H12Cl2F3NO2 and a molecular weight of 366.17 g/mol. Its IUPAC name is [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
PubChem CID86663142
Molecular FormulaC15H12Cl2F3NO2
Molecular Weight366.17 g/mol
Exact Mass365.02
IUPAC Name[6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(-c2cc(CO)nc(Cl)c2OCC(F)(F)F)cc1Cl
InChIInChI=1S/C15H12Cl2F3NO2/c1-8-2-3-9(4-12(8)16)11-5-10(6-22)21-14(17)13(11)23-7-15(18,19)20/h2-5,22H,6-7H2,1H3
InChIKeyRXKSEDXBMGYRFL-UHFFFAOYSA-N
XLogP4.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 54.80
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-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol (CID 86663142) is [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is Cc1ccc(-c2cc(CO)nc(Cl)c2OCC(F)(F)F)cc1Cl.
What is the InChIKey of [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
The InChIKey is RXKSEDXBMGYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO2/c1-8-2-3-9(4-12(8)16)11-5-10(6-22)21-14(17)13(11)23-7-15(18,19)20/h2-5,22H,6-7H2,1H3.
What are the key properties of [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol?
[6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol has a molecular weight of 366.17 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(3-chloro-4-methylphenyl)-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 86663142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).