3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol

C12H17BrN2O2 — CID 107268416

IUPAC3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O2/c1-9-12(16,4-5-17-9)8-14-7-11-3-2-10(13)6-15-11/h2-3,6,9,14,16H,4-5,7-8H2,1H3
InChIKeyWJSNUKSGYZNDFR-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.47
Rot. Bonds4

About 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107268416) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107268416
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O2/c1-9-12(16,4-5-17-9)8-14-7-11-3-2-10(13)6-15-11/h2-3,6,9,14,16H,4-5,7-8H2,1H3
InChIKeyWJSNUKSGYZNDFR-UHFFFAOYSA-N
XLogP1.47
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
2-methyl-3-[[(1-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268345
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
3-[[(5-ethylthiophen-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268149
2-methyl-3-[[(1-methylpyrrol-2-yl)methylamino]methyl]oxolan-3-ol
CID 107268488
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107268416) is 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCc1ccc(Br)cn1.
What is the InChIKey of 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is WJSNUKSGYZNDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9-12(16,4-5-17-9)8-14-7-11-3-2-10(13)6-15-11/h2-3,6,9,14,16H,4-5,7-8H2,1H3.
What are the key properties of 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 301.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).