[5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol

C11H17NO3 — CID 164927154

IUPAC[5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol
SMILESCCCCOc1ccc(CO)nc1CO
InChIInChI=1S/C11H17NO3/c1-2-3-6-15-11-5-4-9(7-13)12-10(11)8-14/h4-5,13-14H,2-3,6-8H2,1H3
InChIKeyLCLDZQXZMNCUNT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds6

About [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol

[5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol (PubChem CID 164927154) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol
PubChem CID164927154
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol
SMILESCCCCOc1ccc(CO)nc1CO
InChIInChI=1S/C11H17NO3/c1-2-3-6-15-11-5-4-9(7-13)12-10(11)8-14/h4-5,13-14H,2-3,6-8H2,1H3
InChIKeyLCLDZQXZMNCUNT-UHFFFAOYSA-N
XLogP1.25
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol (CID 164927154) is [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol is CCCCOc1ccc(CO)nc1CO.
What is the InChIKey of [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol?
The InChIKey is LCLDZQXZMNCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-6-15-11-5-4-9(7-13)12-10(11)8-14/h4-5,13-14H,2-3,6-8H2,1H3.
What are the key properties of [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol?
[5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol has a molecular weight of 211.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butoxy-6-(hydroxymethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 164927154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).