3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol

C10H14BrN3O2 — CID 106099466

IUPAC3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESNc1cnc(NCC2(O)CCOC2)c(Br)c1
InChIInChI=1S/C10H14BrN3O2/c11-8-3-7(12)4-13-9(8)14-5-10(15)1-2-16-6-10/h3-4,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyMBQOBOJVIMKPAC-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.99
Rot. Bonds3

About 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol

3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol (PubChem CID 106099466) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
PubChem CID106099466
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESNc1cnc(NCC2(O)CCOC2)c(Br)c1
InChIInChI=1S/C10H14BrN3O2/c11-8-3-7(12)4-13-9(8)14-5-10(15)1-2-16-6-10/h3-4,15H,1-2,5-6,12H2,(H,13,14)
InChIKeyMBQOBOJVIMKPAC-UHFFFAOYSA-N
XLogP0.99
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-amino-3-chloro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106099483
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
4-amino-2-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099294
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
3-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102670
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
5-amino-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carbonitrile
CID 103468844
1-[[(3-bromo-5-methyl-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 105366996
3-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]benzenesulfonamide
CID 106099461
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol (CID 106099466) is 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol is Nc1cnc(NCC2(O)CCOC2)c(Br)c1.
What is the InChIKey of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol?
The InChIKey is MBQOBOJVIMKPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-3-7(12)4-13-9(8)14-5-10(15)1-2-16-6-10/h3-4,15H,1-2,5-6,12H2,(H,13,14).
What are the key properties of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol?
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol has a molecular weight of 288.14 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).