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

C11H11BrN2 — CID 53416638

IUPAC2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ccnc(Br)c1
InChIInChI=1S/C11H11BrN2/c1-8-3-4-9(2)14(8)10-5-6-13-11(12)7-10/h3-7H,1-2H3
InChIKeyPCQWGBGWJZIEPI-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.25
Rot. Bonds1

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

2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine (PubChem CID 53416638) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine
PubChem CID53416638
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ccnc(Br)c1
InChIInChI=1S/C11H11BrN2/c1-8-3-4-9(2)14(8)10-5-6-13-11(12)7-10/h3-7H,1-2H3
InChIKeyPCQWGBGWJZIEPI-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine?
The IUPAC name of 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine (CID 53416638) is 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine.
What is the SMILES notation for 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine?
The canonical SMILES for 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine is Cc1ccc(C)n1-c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine?
The InChIKey is PCQWGBGWJZIEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-8-3-4-9(2)14(8)10-5-6-13-11(12)7-10/h3-7H,1-2H3.
What are the key properties of 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine?
2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine has a molecular weight of 251.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine is sourced from PubChem (CID 53416638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).