1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol

C11H16FNO2 — CID 116751826

IUPAC1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1cncc(F)c1
InChIInChI=1S/C11H16FNO2/c1-4-11(2,15-3)10(14)8-5-9(12)7-13-6-8/h5-7,10,14H,4H2,1-3H3
InChIKeyIKNOGGZMIKZTBZ-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.07
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol

1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol (PubChem CID 116751826) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
PubChem CID116751826
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol
SMILESCCC(C)(OC)C(O)c1cncc(F)c1
InChIInChI=1S/C11H16FNO2/c1-4-11(2,15-3)10(14)8-5-9(12)7-13-6-8/h5-7,10,14H,4H2,1-3H3
InChIKeyIKNOGGZMIKZTBZ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79065583
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
1-(5-fluoro-3-pyridinyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197907
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
CID 115920023
1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
CID 105080397
3-(1-chloropropyl)-5-fluoropyridine
CID 130480294

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol (CID 116751826) is 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol is CCC(C)(OC)C(O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol?
The InChIKey is IKNOGGZMIKZTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-4-11(2,15-3)10(14)8-5-9(12)7-13-6-8/h5-7,10,14H,4H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol?
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116751826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).