3-bromo-5-(4-methylimidazol-1-yl)pyridine

C9H8BrN3 — CID 66521459

IUPAC3-bromo-5-(4-methylimidazol-1-yl)pyridine
SMILESCc1cn(-c2cncc(Br)c2)cn1
InChIInChI=1S/C9H8BrN3/c1-7-5-13(6-12-7)9-2-8(10)3-11-4-9/h2-6H,1H3
InChIKeyVMZLJNZWYGRNCW-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.34
Rot. Bonds1

About 3-bromo-5-(4-methylimidazol-1-yl)pyridine

3-bromo-5-(4-methylimidazol-1-yl)pyridine (PubChem CID 66521459) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 3-bromo-5-(4-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(4-methylimidazol-1-yl)pyridine
PubChem CID66521459
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name3-bromo-5-(4-methylimidazol-1-yl)pyridine
SMILESCc1cn(-c2cncc(Br)c2)cn1
InChIInChI=1S/C9H8BrN3/c1-7-5-13(6-12-7)9-2-8(10)3-11-4-9/h2-6H,1H3
InChIKeyVMZLJNZWYGRNCW-UHFFFAOYSA-N
XLogP2.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methylimidazol-1-yl)pyridine?
The IUPAC name of 3-bromo-5-(4-methylimidazol-1-yl)pyridine (CID 66521459) is 3-bromo-5-(4-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(4-methylimidazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-(4-methylimidazol-1-yl)pyridine is Cc1cn(-c2cncc(Br)c2)cn1.
What is the InChIKey of 3-bromo-5-(4-methylimidazol-1-yl)pyridine?
The InChIKey is VMZLJNZWYGRNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c1-7-5-13(6-12-7)9-2-8(10)3-11-4-9/h2-6H,1H3.
What are the key properties of 3-bromo-5-(4-methylimidazol-1-yl)pyridine?
3-bromo-5-(4-methylimidazol-1-yl)pyridine has a molecular weight of 238.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 66521459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).