3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol

C12H17ClN2O2 — CID 114143498

IUPAC3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-9-12(16,3-5-17-9)8-15-6-10-2-4-14-7-11(10)13/h2,4,7,9,15-16H,3,5-6,8H2,1H3
InChIKeyFYTWYJWRGVGFTG-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.36
Rot. Bonds4

About 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 114143498) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID114143498
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-9-12(16,3-5-17-9)8-15-6-10-2-4-14-7-11(10)13/h2,4,7,9,15-16H,3,5-6,8H2,1H3
InChIKeyFYTWYJWRGVGFTG-UHFFFAOYSA-N
XLogP1.36
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-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

Related Compounds

3-[[(3-chloro-4-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 106100683
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
3-[[(6-chloro-1H-indol-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 106100191
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268154

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol (CID 114143498) is 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCc1ccncc1Cl.
What is the InChIKey of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is FYTWYJWRGVGFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-12(16,3-5-17-9)8-15-6-10-2-4-14-7-11(10)13/h2,4,7,9,15-16H,3,5-6,8H2,1H3.
What are the key properties of 3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 256.73 g/mol, XLogP of 1.36, 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]-2-methyloxolan-3-ol is sourced from PubChem (CID 114143498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).