2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine

C13H19NO3 — CID 99842312

IUPAC2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine
SMILESCc1cccc(OCCO[C@@H]2CCCCO2)n1
InChIInChI=1S/C13H19NO3/c1-11-5-4-6-12(14-11)15-9-10-17-13-7-2-3-8-16-13/h4-6,13H,2-3,7-10H2,1H3/t13-/m1/s1
InChIKeyPCYFGDKXLAXBFJ-CYBMUJFWSA-N
MW237.30 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine

2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine (PubChem CID 99842312) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine.

Molecular Properties

Compound Name2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine
PubChem CID99842312
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine
SMILESCc1cccc(OCCO[C@@H]2CCCCO2)n1
InChIInChI=1S/C13H19NO3/c1-11-5-4-6-12(14-11)15-9-10-17-13-7-2-3-8-16-13/h4-6,13H,2-3,7-10H2,1H3/t13-/m1/s1
InChIKeyPCYFGDKXLAXBFJ-CYBMUJFWSA-N
XLogP2.31
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine?
The IUPAC name of 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine (CID 99842312) is 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine.
What is the SMILES notation for 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine?
The canonical SMILES for 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine is Cc1cccc(OCCO[C@@H]2CCCCO2)n1.
What is the InChIKey of 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine?
The InChIKey is PCYFGDKXLAXBFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11-5-4-6-12(14-11)15-9-10-17-13-7-2-3-8-16-13/h4-6,13H,2-3,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine?
2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine has a molecular weight of 237.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridine is sourced from PubChem (CID 99842312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).