4-(2,5-dimethylpyrrol-1-yl)pyridine

C11H12N2 — CID 645253

IUPAC4-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ccncc1
InChIInChI=1S/C11H12N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-8H,1-2H3
InChIKeyJSXRQETUPRRBJE-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.49
Rot. Bonds1

About 4-(2,5-dimethylpyrrol-1-yl)pyridine

4-(2,5-dimethylpyrrol-1-yl)pyridine (PubChem CID 645253) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)pyridine
PubChem CID645253
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ccncc1
InChIInChI=1S/C11H12N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-8H,1-2H3
InChIKeyJSXRQETUPRRBJE-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)pyridine?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)pyridine (CID 645253) is 4-(2,5-dimethylpyrrol-1-yl)pyridine.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)pyridine?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)pyridine is Cc1ccc(C)n1-c1ccncc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)pyridine?
The InChIKey is JSXRQETUPRRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9-3-4-10(2)13(9)11-5-7-12-8-6-11/h3-8H,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)pyridine?
4-(2,5-dimethylpyrrol-1-yl)pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)pyridine is sourced from PubChem (CID 645253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).