[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol

C12H17NO4 — CID 126708776

IUPAC[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol
SMILESCC1(C)OC[C@@H](COc2ncccc2CO)O1
InChIInChI=1S/C12H17NO4/c1-12(2)16-8-10(17-12)7-15-11-9(6-14)4-3-5-13-11/h3-5,10,14H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyYNMZJSBGNYTLHK-SNVBAGLBSA-N
MW239.27 g/mol
LogP1.10
Rot. Bonds4

About [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol

[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol (PubChem CID 126708776) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol
PubChem CID126708776
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol
SMILESCC1(C)OC[C@@H](COc2ncccc2CO)O1
InChIInChI=1S/C12H17NO4/c1-12(2)16-8-10(17-12)7-15-11-9(6-14)4-3-5-13-11/h3-5,10,14H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyYNMZJSBGNYTLHK-SNVBAGLBSA-N
XLogP1.10
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol?
The IUPAC name of [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol (CID 126708776) is [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol?
The canonical SMILES for [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol is CC1(C)OC[C@@H](COc2ncccc2CO)O1.
What is the InChIKey of [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol?
The InChIKey is YNMZJSBGNYTLHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2)16-8-10(17-12)7-15-11-9(6-14)4-3-5-13-11/h3-5,10,14H,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol?
[2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol has a molecular weight of 239.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 126708776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).