5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

C12H17NO3 — CID 155216898

IUPAC5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(COC2CCC2)c(CO)c1O
InChIInChI=1S/C12H17NO3/c1-8-12(15)11(6-14)9(5-13-8)7-16-10-3-2-4-10/h5,10,14-15H,2-4,6-7H2,1H3
InChIKeySMHMPUVXJUHJRD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.66
Rot. Bonds4

About 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 155216898) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID155216898
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(COC2CCC2)c(CO)c1O
InChIInChI=1S/C12H17NO3/c1-8-12(15)11(6-14)9(5-13-8)7-16-10-3-2-4-10/h5,10,14-15H,2-4,6-7H2,1H3
InChIKeySMHMPUVXJUHJRD-UHFFFAOYSA-N
XLogP1.66
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol (CID 155216898) is 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(COC2CCC2)c(CO)c1O.
What is the InChIKey of 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is SMHMPUVXJUHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-12(15)11(6-14)9(5-13-8)7-16-10-3-2-4-10/h5,10,14-15H,2-4,6-7H2,1H3.
What are the key properties of 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol?
5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 223.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutyloxymethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 155216898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).