3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine

C10H8BrN5 — CID 107085672

IUPAC3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine
SMILESBrCc1c(-n2cncn2)nc2ccccn12
InChIInChI=1S/C10H8BrN5/c11-5-8-10(16-7-12-6-13-16)14-9-3-1-2-4-15(8)9/h1-4,6-7H,5H2
InChIKeyHTVLGRZIYJQBJF-UHFFFAOYSA-N
MW278.11 g/mol
LogP1.81
Rot. Bonds2

About 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine

3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine (PubChem CID 107085672) has the molecular formula C10H8BrN5 and a molecular weight of 278.11 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine
PubChem CID107085672
Molecular FormulaC10H8BrN5
Molecular Weight278.11 g/mol
Exact Mass277.00
IUPAC Name3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine
SMILESBrCc1c(-n2cncn2)nc2ccccn12
InChIInChI=1S/C10H8BrN5/c11-5-8-10(16-7-12-6-13-16)14-9-3-1-2-4-15(8)9/h1-4,6-7H,5H2
InChIKeyHTVLGRZIYJQBJF-UHFFFAOYSA-N
XLogP1.81
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477915
3-(bromomethyl)-2-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyridine
CID 107079661
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
3-(bromomethyl)-2-(4-methylsulfanylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 114237430
3-(bromomethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 107081425
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 54909750
[2-(4-bromopyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 54909886
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
3-(bromomethyl)-2-(3,3-dimethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107083876
N-methyl-1-(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 43478544
3-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)imidazo[1,2-a]pyridine
CID 62350046
3-(bromomethyl)-2-(4-ethoxypiperidin-1-yl)imidazo[1,2-a]pyridine
CID 107080810

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine (CID 107085672) is 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine is BrCc1c(-n2cncn2)nc2ccccn12.
What is the InChIKey of 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine?
The InChIKey is HTVLGRZIYJQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5/c11-5-8-10(16-7-12-6-13-16)14-9-3-1-2-4-15(8)9/h1-4,6-7H,5H2.
What are the key properties of 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine?
3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 278.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 107085672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).