2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol

C10H14FNO3 — CID 170968848

IUPAC2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol
SMILESCOCC(O)(COC)c1ccnc(F)c1
InChIInChI=1S/C10H14FNO3/c1-14-6-10(13,7-15-2)8-3-4-12-9(11)5-8/h3-5,13H,6-7H2,1-2H3
InChIKeyIYLFWCSUZORLMK-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.70
Rot. Bonds5

About 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol

2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol (PubChem CID 170968848) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol
PubChem CID170968848
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol
SMILESCOCC(O)(COC)c1ccnc(F)c1
InChIInChI=1S/C10H14FNO3/c1-14-6-10(13,7-15-2)8-3-4-12-9(11)5-8/h3-5,13H,6-7H2,1-2H3
InChIKeyIYLFWCSUZORLMK-UHFFFAOYSA-N
XLogP0.70
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol (CID 170968848) is 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol is COCC(O)(COC)c1ccnc(F)c1.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol?
The InChIKey is IYLFWCSUZORLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-14-6-10(13,7-15-2)8-3-4-12-9(11)5-8/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol?
2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol has a molecular weight of 215.22 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)-1,3-dimethoxypropan-2-ol is sourced from PubChem (CID 170968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).