1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol

C11H17BrN2O2 — CID 75443197

IUPAC1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc(Br)c(C)n1
InChIInChI=1S/C11H17BrN2O2/c1-8-10(12)4-5-11(13-8)14(2)6-9(15)7-16-3/h4-5,9,15H,6-7H2,1-3H3
InChIKeyWVFYOBUPIJUMEN-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.60
Rot. Bonds5

About 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol

1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 75443197) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
PubChem CID75443197
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc(Br)c(C)n1
InChIInChI=1S/C11H17BrN2O2/c1-8-10(12)4-5-11(13-8)14(2)6-9(15)7-16-3/h4-5,9,15H,6-7H2,1-3H3
InChIKeyWVFYOBUPIJUMEN-UHFFFAOYSA-N
XLogP1.60
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol (CID 75443197) is 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccc(Br)c(C)n1.
What is the InChIKey of 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is WVFYOBUPIJUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-8-10(12)4-5-11(13-8)14(2)6-9(15)7-16-3/h4-5,9,15H,6-7H2,1-3H3.
What are the key properties of 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol?
1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 289.17 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 75443197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).