[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol

C13H8F5NO2 — CID 133093703

IUPAC[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol
SMILESCOc1ccc(CO)nc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8F5NO2/c1-21-6-3-2-5(4-20)19-13(6)7-8(14)10(16)12(18)11(17)9(7)15/h2-3,20H,4H2,1H3
InChIKeyOADHVLVAIJLYGY-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.94
Rot. Bonds3

About [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol

[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol (PubChem CID 133093703) has the molecular formula C13H8F5NO2 and a molecular weight of 305.20 g/mol. Its IUPAC name is [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol
PubChem CID133093703
Molecular FormulaC13H8F5NO2
Molecular Weight305.20 g/mol
Exact Mass305.05
IUPAC Name[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol
SMILESCOc1ccc(CO)nc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H8F5NO2/c1-21-6-3-2-5(4-20)19-13(6)7-8(14)10(16)12(18)11(17)9(7)15/h2-3,20H,4H2,1H3
InChIKeyOADHVLVAIJLYGY-UHFFFAOYSA-N
XLogP2.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol (CID 133093703) is [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol is COc1ccc(CO)nc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol?
The InChIKey is OADHVLVAIJLYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO2/c1-21-6-3-2-5(4-20)19-13(6)7-8(14)10(16)12(18)11(17)9(7)15/h2-3,20H,4H2,1H3.
What are the key properties of [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol?
[5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol has a molecular weight of 305.20 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-6-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 133093703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).