2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine

C9H8BrN3 — CID 83647798

IUPAC2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
SMILESCc1[nH]c(-c2ccccn2)nc1Br
InChIInChI=1S/C9H8BrN3/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,12,13)
InChIKeyRRIDSOFTSJHTKD-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.54
Rot. Bonds1

About 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine

2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine (PubChem CID 83647798) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
PubChem CID83647798
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
SMILESCc1[nH]c(-c2ccccn2)nc1Br
InChIInChI=1S/C9H8BrN3/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,12,13)
InChIKeyRRIDSOFTSJHTKD-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine (CID 83647798) is 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine is Cc1[nH]c(-c2ccccn2)nc1Br.
What is the InChIKey of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
The InChIKey is RRIDSOFTSJHTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine has a molecular weight of 238.09 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 83647798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).