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

C10H15NO3 — CID 141080015

IUPAC2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol
SMILESCOc1ccnc(C(C)CO)c1OC
InChIInChI=1S/C10H15NO3/c1-7(6-12)9-10(14-3)8(13-2)4-5-11-9/h4-5,7,12H,6H2,1-3H3
InChIKeyIWFJDPLVDUOWQS-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.19
Rot. Bonds4

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

2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol (PubChem CID 141080015) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol
PubChem CID141080015
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol
SMILESCOc1ccnc(C(C)CO)c1OC
InChIInChI=1S/C10H15NO3/c1-7(6-12)9-10(14-3)8(13-2)4-5-11-9/h4-5,7,12H,6H2,1-3H3
InChIKeyIWFJDPLVDUOWQS-UHFFFAOYSA-N
XLogP1.19
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethoxy-2-pyridinyl)-1-hydroxypropyl] carbamate
CID 141080022
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol
CID 103173570
4-methoxy-3-methyl-2-propan-2-ylpyridine
CID 130295970
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
CID 103173777
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
4-methoxy-2-propan-2-ylpyridin-3-amine
CID 134168287
3-fluoro-4-methoxy-2-propan-2-ylpyridine
CID 169237484
3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 103173812
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol (CID 141080015) is 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol is COc1ccnc(C(C)CO)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol?
The InChIKey is IWFJDPLVDUOWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(6-12)9-10(14-3)8(13-2)4-5-11-9/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol?
2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol has a molecular weight of 197.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 141080015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).