2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol

C11H16FNO2 — CID 104737660

IUPAC2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1ccncc1F)C(C)C
InChIInChI=1S/C11H16FNO2/c1-8(2)11(14,7-15-3)9-4-5-13-6-10(9)12/h4-6,8,14H,7H2,1-3H3
InChIKeyFRWNSEBAVRCQIW-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.71
Rot. Bonds4

About 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol

2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol (PubChem CID 104737660) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol
PubChem CID104737660
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1ccncc1F)C(C)C
InChIInChI=1S/C11H16FNO2/c1-8(2)11(14,7-15-3)9-4-5-13-6-10(9)12/h4-6,8,14H,7H2,1-3H3
InChIKeyFRWNSEBAVRCQIW-UHFFFAOYSA-N
XLogP1.71
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
CID 105393954
4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
2,2-diethoxy-1-(3-fluoro-4-pyridinyl)-1-phenylethanol
CID 57247812
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104737502
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
4-fluoro-5-methoxy-4-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 103392506

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol (CID 104737660) is 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol is COCC(O)(c1ccncc1F)C(C)C.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol?
The InChIKey is FRWNSEBAVRCQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(2)11(14,7-15-3)9-4-5-13-6-10(9)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol?
2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol has a molecular weight of 213.25 g/mol, XLogP of 1.71, 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-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 104737660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).