[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol

C11H15BrN2O2 — CID 133451467

IUPAC[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
SMILESCc1nc(NCC2(CO)COC2)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-8-9(12)2-3-10(14-8)13-4-11(5-15)6-16-7-11/h2-3,15H,4-7H2,1H3,(H,13,14)
InChIKeyONRZJNMAQSLBLB-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.57
Rot. Bonds4

About [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol

[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol (PubChem CID 133451467) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
PubChem CID133451467
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
SMILESCc1nc(NCC2(CO)COC2)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-8-9(12)2-3-10(14-8)13-4-11(5-15)6-16-7-11/h2-3,15H,4-7H2,1H3,(H,13,14)
InChIKeyONRZJNMAQSLBLB-UHFFFAOYSA-N
XLogP1.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol (CID 133451467) is [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol is Cc1nc(NCC2(CO)COC2)ccc1Br.
What is the InChIKey of [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol?
The InChIKey is ONRZJNMAQSLBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-8-9(12)2-3-10(14-8)13-4-11(5-15)6-16-7-11/h2-3,15H,4-7H2,1H3,(H,13,14).
What are the key properties of [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol?
[3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol has a molecular weight of 287.16 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 133451467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).