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

C12H5ClF5NO — CID 133093742

IUPAC[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1Cl
InChIInChI=1S/C12H5ClF5NO/c13-5-2-19-6(1-4(5)3-20)7-8(14)10(16)12(18)11(17)9(7)15/h1-2,20H,3H2
InChIKeyIYGNENMPTPTOIZ-UHFFFAOYSA-N
MW309.62 g/mol
LogP3.59
Rot. Bonds2

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

[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol (PubChem CID 133093742) has the molecular formula C12H5ClF5NO and a molecular weight of 309.62 g/mol. Its IUPAC name is [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
PubChem CID133093742
Molecular FormulaC12H5ClF5NO
Molecular Weight309.62 g/mol
Exact Mass309.00
IUPAC Name[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1Cl
InChIInChI=1S/C12H5ClF5NO/c13-5-2-19-6(1-4(5)3-20)7-8(14)10(16)12(18)11(17)9(7)15/h1-2,20H,3H2
InChIKeyIYGNENMPTPTOIZ-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol (CID 133093742) is [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol is OCc1cc(-c2c(F)c(F)c(F)c(F)c2F)ncc1Cl.
What is the InChIKey of [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
The InChIKey is IYGNENMPTPTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF5NO/c13-5-2-19-6(1-4(5)3-20)7-8(14)10(16)12(18)11(17)9(7)15/h1-2,20H,3H2.
What are the key properties of [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol has a molecular weight of 309.62 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 133093742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).