1-(5-methyl-3-pyridinyl)-2-propoxyethanol

C11H17NO2 — CID 115374102

IUPAC1-(5-methyl-3-pyridinyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cncc(C)c1
InChIInChI=1S/C11H17NO2/c1-3-4-14-8-11(13)10-5-9(2)6-12-7-10/h5-7,11,13H,3-4,8H2,1-2H3
InChIKeyGNZRPSDIGPFABD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.85
Rot. Bonds5

About 1-(5-methyl-3-pyridinyl)-2-propoxyethanol

1-(5-methyl-3-pyridinyl)-2-propoxyethanol (PubChem CID 115374102) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-2-propoxyethanol
PubChem CID115374102
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(5-methyl-3-pyridinyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cncc(C)c1
InChIInChI=1S/C11H17NO2/c1-3-4-14-8-11(13)10-5-9(2)6-12-7-10/h5-7,11,13H,3-4,8H2,1-2H3
InChIKeyGNZRPSDIGPFABD-UHFFFAOYSA-N
XLogP1.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
1-(5-methyl-3-pyridinyl)butane-1,4-diol
CID 106677884
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
1-(5-fluoro-3-pyridinyl)-3-propoxypropan-1-ol
CID 105080397
1-(2,5-dimethylfuran-3-yl)-2-propoxyethanol
CID 115818822
3-heptan-4-yl-5-methylpyridine
CID 134266506
ethyl 3,4-dihydroxy-4-(5-methyl-3-pyridinyl)butanoate
CID 171896867
2-(4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 115374094
[3-(2,2-difluoroethoxy)-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 103151752
[3-ethoxy-1-(5-methyl-3-pyridinyl)propyl]hydrazine
CID 105328621
1-(3-methylphenyl)-2-octoxyethanol
CID 55193418

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-2-propoxyethanol?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-2-propoxyethanol (CID 115374102) is 1-(5-methyl-3-pyridinyl)-2-propoxyethanol.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-2-propoxyethanol?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-2-propoxyethanol is CCCOCC(O)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-2-propoxyethanol?
The InChIKey is GNZRPSDIGPFABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-14-8-11(13)10-5-9(2)6-12-7-10/h5-7,11,13H,3-4,8H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-2-propoxyethanol?
1-(5-methyl-3-pyridinyl)-2-propoxyethanol has a molecular weight of 195.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-2-propoxyethanol is sourced from PubChem (CID 115374102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).