(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol

C10H13BrN2O2 — CID 128565486

IUPAC(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
SMILESCc1nc(N[C@@H]2COC[C@H]2O)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6-7(11)2-3-10(12-6)13-8-4-15-5-9(8)14/h2-3,8-9,14H,4-5H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyMFILUMFEQWELGD-RKDXNWHRSA-N
MW273.13 g/mol
LogP1.32
Rot. Bonds2

About (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol

(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol (PubChem CID 128565486) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
PubChem CID128565486
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
SMILESCc1nc(N[C@@H]2COC[C@H]2O)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6-7(11)2-3-10(12-6)13-8-4-15-5-9(8)14/h2-3,8-9,14H,4-5H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyMFILUMFEQWELGD-RKDXNWHRSA-N
XLogP1.32
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol (CID 128565486) is (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol is Cc1nc(N[C@@H]2COC[C@H]2O)ccc1Br.
What is the InChIKey of (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol?
The InChIKey is MFILUMFEQWELGD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-7(11)2-3-10(12-6)13-8-4-15-5-9(8)14/h2-3,8-9,14H,4-5H2,1H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol?
(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol has a molecular weight of 273.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol is sourced from PubChem (CID 128565486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).