6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol

C11H16N2O2 — CID 79781899

IUPAC6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
SMILESOc1ccc(CNCC2CCOC2)nc1
InChIInChI=1S/C11H16N2O2/c14-11-2-1-10(13-7-11)6-12-5-9-3-4-15-8-9/h1-2,7,9,12,14H,3-6,8H2
InChIKeyOFPAQHTUQBTWBQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds4

About 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol

6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol (PubChem CID 79781899) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
PubChem CID79781899
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol
SMILESOc1ccc(CNCC2CCOC2)nc1
InChIInChI=1S/C11H16N2O2/c14-11-2-1-10(13-7-11)6-12-5-9-3-4-15-8-9/h1-2,7,9,12,14H,3-6,8H2
InChIKeyOFPAQHTUQBTWBQ-UHFFFAOYSA-N
XLogP0.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol (CID 79781899) is 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol is Oc1ccc(CNCC2CCOC2)nc1.
What is the InChIKey of 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol?
The InChIKey is OFPAQHTUQBTWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-2-1-10(13-7-11)6-12-5-9-3-4-15-8-9/h1-2,7,9,12,14H,3-6,8H2.
What are the key properties of 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol?
6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol has a molecular weight of 208.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(oxolan-3-ylmethylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79781899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).