(5-butoxy-6-methyl-2-pyridinyl)methanol

C11H17NO2 — CID 164927152

IUPAC(5-butoxy-6-methyl-2-pyridinyl)methanol
SMILESCCCCOc1ccc(CO)nc1C
InChIInChI=1S/C11H17NO2/c1-3-4-7-14-11-6-5-10(8-13)12-9(11)2/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeySIHZATPCAPZJGL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.06
Rot. Bonds5

About (5-butoxy-6-methyl-2-pyridinyl)methanol

(5-butoxy-6-methyl-2-pyridinyl)methanol (PubChem CID 164927152) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (5-butoxy-6-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-butoxy-6-methyl-2-pyridinyl)methanol
PubChem CID164927152
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(5-butoxy-6-methyl-2-pyridinyl)methanol
SMILESCCCCOc1ccc(CO)nc1C
InChIInChI=1S/C11H17NO2/c1-3-4-7-14-11-6-5-10(8-13)12-9(11)2/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeySIHZATPCAPZJGL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-butoxy-6-methyl-2-pyridinyl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-butoxy-6-methyl-2-pyridinyl)methanol?
The IUPAC name of (5-butoxy-6-methyl-2-pyridinyl)methanol (CID 164927152) is (5-butoxy-6-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (5-butoxy-6-methyl-2-pyridinyl)methanol?
The canonical SMILES for (5-butoxy-6-methyl-2-pyridinyl)methanol is CCCCOc1ccc(CO)nc1C.
What is the InChIKey of (5-butoxy-6-methyl-2-pyridinyl)methanol?
The InChIKey is SIHZATPCAPZJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-7-14-11-6-5-10(8-13)12-9(11)2/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of (5-butoxy-6-methyl-2-pyridinyl)methanol?
(5-butoxy-6-methyl-2-pyridinyl)methanol has a molecular weight of 195.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butoxy-6-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 164927152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).