2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol

C10H14FNO2 — CID 104737591

IUPAC2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
SMILESCCC(O)(COC)c1ccncc1F
InChIInChI=1S/C10H14FNO2/c1-3-10(13,7-14-2)8-4-5-12-6-9(8)11/h4-6,13H,3,7H2,1-2H3
InChIKeyXKKRIDJPVXBFGM-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.46
Rot. Bonds4

About 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol

2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol (PubChem CID 104737591) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
PubChem CID104737591
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
SMILESCCC(O)(COC)c1ccncc1F
InChIInChI=1S/C10H14FNO2/c1-3-10(13,7-14-2)8-4-5-12-6-9(8)11/h4-6,13H,3,7H2,1-2H3
InChIKeyXKKRIDJPVXBFGM-UHFFFAOYSA-N
XLogP1.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol
CID 104856
alpha-Methyl-3-pyridinemethanol
CID 101192
(4-Methylpyridin-3-yl)methanol
CID 232487
3-Pyridinemethanol, alpha-methyl-, 1-oxide
CID 151201
(2-Methylpyridin-3-yl)methanol
CID 302564
Nicotinyl alcohol hydrofluoride
CID 20333624
1,2-Di-4-pyridinyl-1,2-ethanediol
CID 95639
alpha-Methyl-4-pyridinemethanol
CID 90919
2,3-Di-3-pyridylbutane-2,3-diol
CID 579621
2-(4-Pyridyl)-2-propanol
CID 4580583
(S)-(-)-alpha-Methyl-4-pyridinemethanol
CID 10920507
(1R)-1-(pyridin-4-yl)ethan-1-ol
CID 11804747

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol (CID 104737591) is 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol is CCC(O)(COC)c1ccncc1F.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol?
The InChIKey is XKKRIDJPVXBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-3-10(13,7-14-2)8-4-5-12-6-9(8)11/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol?
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol has a molecular weight of 199.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol is sourced from PubChem (CID 104737591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).