2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol

C11H18N2O2 — CID 103924307

IUPAC2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
SMILESCC[C@H](CO)NCc1nc(C)ccc1O
InChIInChI=1S/C11H18N2O2/c1-3-9(7-14)12-6-10-11(15)5-4-8(2)13-10/h4-5,9,12,14-15H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyVUBNRIBDSUKHTQ-SECBINFHSA-N
MW210.28 g/mol
LogP0.96
Rot. Bonds5

About 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol

2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 103924307) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID103924307
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol
SMILESCC[C@H](CO)NCc1nc(C)ccc1O
InChIInChI=1S/C11H18N2O2/c1-3-9(7-14)12-6-10-11(15)5-4-8(2)13-10/h4-5,9,12,14-15H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyVUBNRIBDSUKHTQ-SECBINFHSA-N
XLogP0.96
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol (CID 103924307) is 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol is CC[C@H](CO)NCc1nc(C)ccc1O.
What is the InChIKey of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is VUBNRIBDSUKHTQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-9(7-14)12-6-10-11(15)5-4-8(2)13-10/h4-5,9,12,14-15H,3,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 210.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 103924307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).