1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol

C10H15NO3 — CID 58380617

IUPAC1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
SMILESCOc1ccc(C(O)C(C)(C)O)cn1
InChIInChI=1S/C10H15NO3/c1-10(2,13)9(12)7-4-5-8(14-3)11-6-7/h4-6,9,12-13H,1-3H3
InChIKeyUENJBPPOODGCNL-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds3

About 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol

1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol (PubChem CID 58380617) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
PubChem CID58380617
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
SMILESCOc1ccc(C(O)C(C)(C)O)cn1
InChIInChI=1S/C10H15NO3/c1-10(2,13)9(12)7-4-5-8(14-3)11-6-7/h4-6,9,12-13H,1-3H3
InChIKeyUENJBPPOODGCNL-UHFFFAOYSA-N
XLogP0.89
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
1-(6-methoxy-3-pyridinyl)-2-methylbutan-1-ol
CID 114938063
(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
cyclohexen-1-yl-(6-methoxy-3-pyridinyl)methanol
CID 106651682
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol (CID 58380617) is 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol is COc1ccc(C(O)C(C)(C)O)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol?
The InChIKey is UENJBPPOODGCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,13)9(12)7-4-5-8(14-3)11-6-7/h4-6,9,12-13H,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol?
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol is sourced from PubChem (CID 58380617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).