2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol

C10H12FNO3 — CID 103547374

IUPAC2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESOC(CC1OCCO1)c1cncc(F)c1
InChIInChI=1S/C10H12FNO3/c11-8-3-7(5-12-6-8)9(13)4-10-14-1-2-15-10/h3,5-6,9-10,13H,1-2,4H2
InChIKeyAXJXPTZAUYWAII-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.02
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol

2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol (PubChem CID 103547374) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
PubChem CID103547374
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESOC(CC1OCCO1)c1cncc(F)c1
InChIInChI=1S/C10H12FNO3/c11-8-3-7(5-12-6-8)9(13)4-10-14-1-2-15-10/h3,5-6,9-10,13H,1-2,4H2
InChIKeyAXJXPTZAUYWAII-UHFFFAOYSA-N
XLogP1.02
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-(oxolan-3-yl)ethanol
CID 103986451
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
CID 59574538
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 130667464
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
CID 65139697
(5-fluoro-3-pyridinyl)-(3-methyloxolan-2-yl)methanol
CID 114981175
1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
CID 65352820
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol (CID 103547374) is 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol is OC(CC1OCCO1)c1cncc(F)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The InChIKey is AXJXPTZAUYWAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-3-7(5-12-6-8)9(13)4-10-14-1-2-15-10/h3,5-6,9-10,13H,1-2,4H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol has a molecular weight of 213.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 103547374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).