5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine

C12H14N2O — CID 793158

IUPAC5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)ccc2C)cn1
InChIInChI=1S/C12H14N2O/c1-9-4-5-10(2)14(9)11-6-7-12(15-3)13-8-11/h4-8H,1-3H3
InChIKeyJOSVQQDTVYZKHG-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.50
Rot. Bonds2

About 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine

5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine (PubChem CID 793158) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine
PubChem CID793158
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)ccc2C)cn1
InChIInChI=1S/C12H14N2O/c1-9-4-5-10(2)14(9)11-6-7-12(15-3)13-8-11/h4-8H,1-3H3
InChIKeyJOSVQQDTVYZKHG-UHFFFAOYSA-N
XLogP2.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine (CID 793158) is 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine is COc1ccc(-n2c(C)ccc2C)cn1.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine?
The InChIKey is JOSVQQDTVYZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-5-10(2)14(9)11-6-7-12(15-3)13-8-11/h4-8H,1-3H3.
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine?
5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine has a molecular weight of 202.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-2-methoxypyridine is sourced from PubChem (CID 793158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).