[4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol

C18H11F2N5O4 — CID 167518296

IUPAC[4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol
SMILESOC(O)(O)c1cc(-c2cncc(F)c2)cc(-c2nnc(-c3ccc(F)cn3)o2)n1
InChIInChI=1S/C18H11F2N5O4/c19-11-1-2-13(22-8-11)16-24-25-17(29-16)14-4-9(5-15(23-14)18(26,27)28)10-3-12(20)7-21-6-10/h1-8,26-28H
InChIKeyGLJNSXFSTLFYDW-UHFFFAOYSA-N
MW399.31 g/mol
LogP1.62
Rot. Bonds4

About [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol

[4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol (PubChem CID 167518296) has the molecular formula C18H11F2N5O4 and a molecular weight of 399.31 g/mol. Its IUPAC name is [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol.

Molecular Properties

Compound Name[4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol
PubChem CID167518296
Molecular FormulaC18H11F2N5O4
Molecular Weight399.31 g/mol
Exact Mass399.08
IUPAC Name[4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol
SMILESOC(O)(O)c1cc(-c2cncc(F)c2)cc(-c2nnc(-c3ccc(F)cn3)o2)n1
InChIInChI=1S/C18H11F2N5O4/c19-11-1-2-13(22-8-11)16-24-25-17(29-16)14-4-9(5-15(23-14)18(26,27)28)10-3-12(20)7-21-6-10/h1-8,26-28H
InChIKeyGLJNSXFSTLFYDW-UHFFFAOYSA-N
XLogP1.62
TPSA138.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol with MolForge

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Launch Full Analysis

Related Compounds

7-Phenyl-1-[5-(Pyridin-2-Yl)-1,3,4-Oxadiazol-2-Yl]heptan-1-One
CID 11484453
6-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11652690
8-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)octan-1-one
CID 11695972
9-Phenyl-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)nonan-1-one
CID 11696246
3-(Biphenyl-4-yl)-1-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)-propan-1-one
CID 44577784
2-Phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 4420925
US10927110, Example 13
CID 134398026
1,3-Bis[2-(2,2'-bipyridine-6-yl)-1,3,4-oxadiazo-5-yl]benzene
CID 59336462
2-(5-(7-Phenylheptyl)-1,3,4-oxadiazol-2-yl)pyridine
CID 44577785
4-(5-Methylpyridin-2-yl)-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
CID 56743851
2-Phenyl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92574380
2-Pyridin-3-yl-1-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 92577770

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol?
The IUPAC name of [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol (CID 167518296) is [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol.
What is the SMILES notation for [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol?
The canonical SMILES for [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol is OC(O)(O)c1cc(-c2cncc(F)c2)cc(-c2nnc(-c3ccc(F)cn3)o2)n1.
What is the InChIKey of [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol?
The InChIKey is GLJNSXFSTLFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O4/c19-11-1-2-13(22-8-11)16-24-25-17(29-16)14-4-9(5-15(23-14)18(26,27)28)10-3-12(20)7-21-6-10/h1-8,26-28H.
What are the key properties of [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol?
[4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol has a molecular weight of 399.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-3-pyridinyl)-6-[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methanetriol is sourced from PubChem (CID 167518296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).