(2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol

C12H6F5NO — CID 135039807

IUPAC(2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol
SMILESOC(c1ccncc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H6F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)5-1-3-18-4-2-5/h1-4,12,19H
InChIKeyWIVSDLJZFIPBBQ-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.86
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol

(2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol (PubChem CID 135039807) has the molecular formula C12H6F5NO and a molecular weight of 275.18 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol
PubChem CID135039807
Molecular FormulaC12H6F5NO
Molecular Weight275.18 g/mol
Exact Mass275.04
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol
SMILESOC(c1ccncc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H6F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)5-1-3-18-4-2-5/h1-4,12,19H
InChIKeyWIVSDLJZFIPBBQ-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.86
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 (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol (CID 135039807) is (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol is OC(c1ccncc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol?
The InChIKey is WIVSDLJZFIPBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO/c13-7-6(8(14)10(16)11(17)9(7)15)12(19)5-1-3-18-4-2-5/h1-4,12,19H.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol?
(2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol has a molecular weight of 275.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-pyridin-4-ylmethanol is sourced from PubChem (CID 135039807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).