2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine

C16H18N2O — CID 168513130

IUPAC2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
SMILESCOc1cccc(-c2cccc(N3CCCC3)c2)n1
InChIInChI=1S/C16H18N2O/c1-19-16-9-5-8-15(17-16)13-6-4-7-14(12-13)18-10-2-3-11-18/h4-9,12H,2-3,10-11H2,1H3
InChIKeyQPJKNKQFIFQUJE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.36
Rot. Bonds3

About 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine

2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine (PubChem CID 168513130) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine.

Molecular Properties

Compound Name2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
PubChem CID168513130
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
SMILESCOc1cccc(-c2cccc(N3CCCC3)c2)n1
InChIInChI=1S/C16H18N2O/c1-19-16-9-5-8-15(17-16)13-6-4-7-14(12-13)18-10-2-3-11-18/h4-9,12H,2-3,10-11H2,1H3
InChIKeyQPJKNKQFIFQUJE-UHFFFAOYSA-N
XLogP3.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine?
The IUPAC name of 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine (CID 168513130) is 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine.
What is the SMILES notation for 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine?
The canonical SMILES for 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine is COc1cccc(-c2cccc(N3CCCC3)c2)n1.
What is the InChIKey of 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine?
The InChIKey is QPJKNKQFIFQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-9-5-8-15(17-16)13-6-4-7-14(12-13)18-10-2-3-11-18/h4-9,12H,2-3,10-11H2,1H3.
What are the key properties of 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine?
2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine has a molecular weight of 254.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine is sourced from PubChem (CID 168513130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).