1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol

C11H17NO2 — CID 114938063

IUPAC1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccc(OC)nc1
InChIInChI=1S/C11H17NO2/c1-4-8(2)11(13)9-5-6-10(14-3)12-7-9/h5-8,11,13H,4H2,1-3H3
InChIKeyIFNIWNATCBPCMM-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.17
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol

1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol (PubChem CID 114938063) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
PubChem CID114938063
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccc(OC)nc1
InChIInChI=1S/C11H17NO2/c1-4-8(2)11(13)9-5-6-10(14-3)12-7-9/h5-8,11,13H,4H2,1-3H3
InChIKeyIFNIWNATCBPCMM-UHFFFAOYSA-N
XLogP2.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
1-(6-methoxy-3-pyridinyl)-2-nitropropan-1-ol
CID 59339701
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
2-ethoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937958
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol (CID 114938063) is 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol is CCC(C)C(O)c1ccc(OC)nc1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol?
The InChIKey is IFNIWNATCBPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8(2)11(13)9-5-6-10(14-3)12-7-9/h5-8,11,13H,4H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol?
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol is sourced from PubChem (CID 114938063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).