1-(5-methyl-3-pyridinyl)butane-1,4-diol

C10H15NO2 — CID 106677884

IUPAC1-(5-methyl-3-pyridinyl)butane-1,4-diol
SMILESCc1cncc(C(O)CCCO)c1
InChIInChI=1S/C10H15NO2/c1-8-5-9(7-11-6-8)10(13)3-2-4-12/h5-7,10,12-13H,2-4H2,1H3
InChIKeyXBVPEZVKIWBYJJ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.20
Rot. Bonds4

About 1-(5-methyl-3-pyridinyl)butane-1,4-diol

1-(5-methyl-3-pyridinyl)butane-1,4-diol (PubChem CID 106677884) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)butane-1,4-diol.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)butane-1,4-diol
PubChem CID106677884
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(5-methyl-3-pyridinyl)butane-1,4-diol
SMILESCc1cncc(C(O)CCCO)c1
InChIInChI=1S/C10H15NO2/c1-8-5-9(7-11-6-8)10(13)3-2-4-12/h5-7,10,12-13H,2-4H2,1H3
InChIKeyXBVPEZVKIWBYJJ-UHFFFAOYSA-N
XLogP1.20
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-3-pyridinyl)butane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082567
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115373791
1-(5-methyl-3-pyridinyl)-2-propoxyethanol
CID 115374102
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
hydroxy-(5-methyl-3-pyridinyl)methanesulfonic acid
CID 119081791
1-(5-methyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanol
CID 105123242
2-(4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 115374094
3-heptan-4-yl-5-methylpyridine
CID 134266506
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
2-(furan-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105122925

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)butane-1,4-diol?
The IUPAC name of 1-(5-methyl-3-pyridinyl)butane-1,4-diol (CID 106677884) is 1-(5-methyl-3-pyridinyl)butane-1,4-diol.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)butane-1,4-diol?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)butane-1,4-diol is Cc1cncc(C(O)CCCO)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)butane-1,4-diol?
The InChIKey is XBVPEZVKIWBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-5-9(7-11-6-8)10(13)3-2-4-12/h5-7,10,12-13H,2-4H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)butane-1,4-diol?
1-(5-methyl-3-pyridinyl)butane-1,4-diol has a molecular weight of 181.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)butane-1,4-diol is sourced from PubChem (CID 106677884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).