3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol

C11H15ClN2O2 — CID 106100683

IUPAC3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccncc2Cl)CCOC1
InChIInChI=1S/C11H15ClN2O2/c12-10-6-13-3-1-9(10)5-14-7-11(15)2-4-16-8-11/h1,3,6,14-15H,2,4-5,7-8H2
InChIKeyLEAHRIUKCTXTSE-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.98
Rot. Bonds4

About 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol

3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100683) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
PubChem CID106100683
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2ccncc2Cl)CCOC1
InChIInChI=1S/C11H15ClN2O2/c12-10-6-13-3-1-9(10)5-14-7-11(15)2-4-16-8-11/h1,3,6,14-15H,2,4-5,7-8H2
InChIKeyLEAHRIUKCTXTSE-UHFFFAOYSA-N
XLogP0.98
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100587
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol (CID 106100683) is 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2ccncc2Cl)CCOC1.
What is the InChIKey of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is LEAHRIUKCTXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-6-13-3-1-9(10)5-14-7-11(15)2-4-16-8-11/h1,3,6,14-15H,2,4-5,7-8H2.
What are the key properties of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol?
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 242.71 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).