3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol

C9H13NO3 — CID 70641589

IUPAC3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
SMILESCc1cccc(OCC(O)CO)n1
InChIInChI=1S/C9H13NO3/c1-7-3-2-4-9(10-7)13-6-8(12)5-11/h2-4,8,11-12H,5-6H2,1H3
InChIKeySLOSZSJYGVTRDR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.12
Rot. Bonds4

About 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol

3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol (PubChem CID 70641589) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
PubChem CID70641589
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
SMILESCc1cccc(OCC(O)CO)n1
InChIInChI=1S/C9H13NO3/c1-7-3-2-4-9(10-7)13-6-8(12)5-11/h2-4,8,11-12H,5-6H2,1H3
InChIKeySLOSZSJYGVTRDR-UHFFFAOYSA-N
XLogP0.12
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol (CID 70641589) is 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol is Cc1cccc(OCC(O)CO)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol?
The InChIKey is SLOSZSJYGVTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-3-2-4-9(10-7)13-6-8(12)5-11/h2-4,8,11-12H,5-6H2,1H3.
What are the key properties of 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol?
3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol is sourced from PubChem (CID 70641589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).