3-methoxy-5-(2-methylhexan-2-yl)pyridine

C13H21NO — CID 130238683

IUPAC3-methoxy-5-(2-methylhexan-2-yl)pyridine
SMILESCCCCC(C)(C)c1cncc(OC)c1
InChIInChI=1S/C13H21NO/c1-5-6-7-13(2,3)11-8-12(15-4)10-14-9-11/h8-10H,5-7H2,1-4H3
InChIKeySYIVZBLCSGJJAW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.56
Rot. Bonds5

About 3-methoxy-5-(2-methylhexan-2-yl)pyridine

3-methoxy-5-(2-methylhexan-2-yl)pyridine (PubChem CID 130238683) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methoxy-5-(2-methylhexan-2-yl)pyridine.

Molecular Properties

Compound Name3-methoxy-5-(2-methylhexan-2-yl)pyridine
PubChem CID130238683
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methoxy-5-(2-methylhexan-2-yl)pyridine
SMILESCCCCC(C)(C)c1cncc(OC)c1
InChIInChI=1S/C13H21NO/c1-5-6-7-13(2,3)11-8-12(15-4)10-14-9-11/h8-10H,5-7H2,1-4H3
InChIKeySYIVZBLCSGJJAW-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2-methylhexan-2-yl)pyridine?
The IUPAC name of 3-methoxy-5-(2-methylhexan-2-yl)pyridine (CID 130238683) is 3-methoxy-5-(2-methylhexan-2-yl)pyridine.
What is the SMILES notation for 3-methoxy-5-(2-methylhexan-2-yl)pyridine?
The canonical SMILES for 3-methoxy-5-(2-methylhexan-2-yl)pyridine is CCCCC(C)(C)c1cncc(OC)c1.
What is the InChIKey of 3-methoxy-5-(2-methylhexan-2-yl)pyridine?
The InChIKey is SYIVZBLCSGJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-7-13(2,3)11-8-12(15-4)10-14-9-11/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-5-(2-methylhexan-2-yl)pyridine?
3-methoxy-5-(2-methylhexan-2-yl)pyridine has a molecular weight of 207.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2-methylhexan-2-yl)pyridine is sourced from PubChem (CID 130238683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).