[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine

C9H11BrN2O2 — CID 130550933

IUPAC[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OC2COC2)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c10-8-1-6(2-11)3-12-9(8)14-7-4-13-5-7/h1,3,7H,2,4-5,11H2
InChIKeyIPNMRGNRIMTIBK-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.08
Rot. Bonds3

About [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine

[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine (PubChem CID 130550933) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine
PubChem CID130550933
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(OC2COC2)c(Br)c1
InChIInChI=1S/C9H11BrN2O2/c10-8-1-6(2-11)3-12-9(8)14-7-4-13-5-7/h1,3,7H,2,4-5,11H2
InChIKeyIPNMRGNRIMTIBK-UHFFFAOYSA-N
XLogP1.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(oxetan-3-yloxy)pyridin-3-amine
CID 102605464
3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine
CID 155387445
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine
CID 102607188
[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]cyclobutyl]methanamine
CID 114838257
[1-(oxetan-3-yloxy)isoquinolin-4-yl]methanamine
CID 106777582
[5-chloro-6-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]methanamine
CID 64730996
[3-(oxetan-3-yloxy)pyridazin-4-yl]methanamine
CID 102605386
N-[[5-chloro-6-(oxetan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 102607900
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
[6-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 63559217
4-bromo-7-(oxetan-3-yloxy)thieno[2,3-c]pyridine
CID 130572573

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine (CID 130550933) is [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine is NCc1cnc(OC2COC2)c(Br)c1.
What is the InChIKey of [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine?
The InChIKey is IPNMRGNRIMTIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-8-1-6(2-11)3-12-9(8)14-7-4-13-5-7/h1,3,7H,2,4-5,11H2.
What are the key properties of [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine?
[5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine has a molecular weight of 259.10 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(oxetan-3-yloxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130550933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).