1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol

C13H21NO3 — CID 103173777

IUPAC1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1nccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-5-11(15)9(2)8-10-13(17-4)12(16-3)6-7-14-10/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyXZJGEXAUSFLIOA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.05
Rot. Bonds6

About 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol

1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol (PubChem CID 103173777) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
PubChem CID103173777
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1nccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-5-11(15)9(2)8-10-13(17-4)12(16-3)6-7-14-10/h6-7,9,11,15H,5,8H2,1-4H3
InChIKeyXZJGEXAUSFLIOA-UHFFFAOYSA-N
XLogP2.05
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid
CID 103173065
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
CID 103172348
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 103173570
2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]propanoic acid
CID 103173703
2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 103173812
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]butanenitrile
CID 103172838
2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol
CID 141080015

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol?
The IUPAC name of 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol (CID 103173777) is 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol is CCC(O)C(C)Cc1nccc(OC)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol?
The InChIKey is XZJGEXAUSFLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-11(15)9(2)8-10-13(17-4)12(16-3)6-7-14-10/h6-7,9,11,15H,5,8H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol?
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol has a molecular weight of 239.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol is sourced from PubChem (CID 103173777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).