(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C14H20FNO2 — CID 114622719

IUPAC(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccncc2F)C(C)(C)O1
InChIInChI=1S/C14H20FNO2/c1-13(2)7-10(14(3,4)18-13)12(17)9-5-6-16-8-11(9)15/h5-6,8,10,12,17H,7H2,1-4H3
InChIKeyGSTWGYQSMAAPOK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.85
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622719) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622719
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccncc2F)C(C)(C)O1
InChIInChI=1S/C14H20FNO2/c1-13(2)7-10(14(3,4)18-13)12(17)9-5-6-16-8-11(9)15/h5-6,8,10,12,17H,7H2,1-4H3
InChIKeyGSTWGYQSMAAPOK-UHFFFAOYSA-N
XLogP2.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623400
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622059
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(2-bromo-6-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114885572
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105066147
quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107357753
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622719) is (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2ccncc2F)C(C)(C)O1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is GSTWGYQSMAAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-13(2)7-10(14(3,4)18-13)12(17)9-5-6-16-8-11(9)15/h5-6,8,10,12,17H,7H2,1-4H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 253.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).