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

C12H5F6NO — CID 133088761

IUPAC[6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(F)nc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F6NO/c13-5-2-1-4(3-20)12(19-5)6-7(14)9(16)11(18)10(17)8(6)15/h1-2,20H,3H2
InChIKeyCMHJTOXVSPSMAC-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.08
Rot. Bonds2

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

[6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol (PubChem CID 133088761) has the molecular formula C12H5F6NO and a molecular weight of 293.17 g/mol. Its IUPAC name is [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol
PubChem CID133088761
Molecular FormulaC12H5F6NO
Molecular Weight293.17 g/mol
Exact Mass293.03
IUPAC Name[6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(F)nc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F6NO/c13-5-2-1-4(3-20)12(19-5)6-7(14)9(16)11(18)10(17)8(6)15/h1-2,20H,3H2
InChIKeyCMHJTOXVSPSMAC-UHFFFAOYSA-N
XLogP3.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol (CID 133088761) is [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol is OCc1ccc(F)nc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol?
The InChIKey is CMHJTOXVSPSMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6NO/c13-5-2-1-4(3-20)12(19-5)6-7(14)9(16)11(18)10(17)8(6)15/h1-2,20H,3H2.
What are the key properties of [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol?
[6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol has a molecular weight of 293.17 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 133088761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).