2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine

C17H16N2O — CID 742245

IUPAC2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine
SMILESCOc1ccc(-n2c(C)ccc2-c2ccccc2)cn1
InChIInChI=1S/C17H16N2O/c1-13-8-10-16(14-6-4-3-5-7-14)19(13)15-9-11-17(20-2)18-12-15/h3-12H,1-2H3
InChIKeyRZEWICLMMHSCJX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine

2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine (PubChem CID 742245) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine
PubChem CID742245
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine
SMILESCOc1ccc(-n2c(C)ccc2-c2ccccc2)cn1
InChIInChI=1S/C17H16N2O/c1-13-8-10-16(14-6-4-3-5-7-14)19(13)15-9-11-17(20-2)18-12-15/h3-12H,1-2H3
InChIKeyRZEWICLMMHSCJX-UHFFFAOYSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine?
The IUPAC name of 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine (CID 742245) is 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine.
What is the SMILES notation for 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine?
The canonical SMILES for 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine is COc1ccc(-n2c(C)ccc2-c2ccccc2)cn1.
What is the InChIKey of 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine?
The InChIKey is RZEWICLMMHSCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-8-10-16(14-6-4-3-5-7-14)19(13)15-9-11-17(20-2)18-12-15/h3-12H,1-2H3.
What are the key properties of 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine?
2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine has a molecular weight of 264.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methyl-5-phenylpyrrol-1-yl)pyridine is sourced from PubChem (CID 742245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).