1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine

C12H21NO2 — CID 121467199

IUPAC1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine
SMILESCCCCC(OC)C1=CC=CN(O)C1C
InChIInChI=1S/C12H21NO2/c1-4-5-8-12(15-3)11-7-6-9-13(14)10(11)2/h6-7,9-10,12,14H,4-5,8H2,1-3H3
InChIKeySXOOSWZKGHTMMG-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.72
Rot. Bonds5

About 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine

1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine (PubChem CID 121467199) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine.

Molecular Properties

Compound Name1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine
PubChem CID121467199
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine
SMILESCCCCC(OC)C1=CC=CN(O)C1C
InChIInChI=1S/C12H21NO2/c1-4-5-8-12(15-3)11-7-6-9-13(14)10(11)2/h6-7,9-10,12,14H,4-5,8H2,1-3H3
InChIKeySXOOSWZKGHTMMG-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine?
The IUPAC name of 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine (CID 121467199) is 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine.
What is the SMILES notation for 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine?
The canonical SMILES for 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine is CCCCC(OC)C1=CC=CN(O)C1C.
What is the InChIKey of 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine?
The InChIKey is SXOOSWZKGHTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-5-8-12(15-3)11-7-6-9-13(14)10(11)2/h6-7,9-10,12,14H,4-5,8H2,1-3H3.
What are the key properties of 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine?
1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine has a molecular weight of 211.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine is sourced from PubChem (CID 121467199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).