5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine

C9H8BrClN2 — CID 82060520

IUPAC5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2cccc(Br)n2c1CCl
InChIInChI=1S/C9H8BrClN2/c1-6-7(5-11)13-8(10)3-2-4-9(13)12-6/h2-4H,5H2,1H3
InChIKeyQGCBOQYWKBTYOM-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.14
Rot. Bonds1

About 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine

5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine (PubChem CID 82060520) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine
PubChem CID82060520
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2cccc(Br)n2c1CCl
InChIInChI=1S/C9H8BrClN2/c1-6-7(5-11)13-8(10)3-2-4-9(13)12-6/h2-4H,5H2,1H3
InChIKeyQGCBOQYWKBTYOM-UHFFFAOYSA-N
XLogP3.14
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 83843959
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
5-bromo-1,3-dimethylimidazo[1,5-a]pyridine
CID 83839586
(5-bromo-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82060518
(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 93206666
3-bromo-2-methylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693349
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
2-[5-(dimethylamino)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 83895658
2-(2,5-dimethylimidazo[1,2-a]pyridin-3-yl)ethanimidamide
CID 83881248
3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 39126201
2,5-dimethylimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 165499956
5-chloro-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115020093

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine (CID 82060520) is 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine is Cc1nc2cccc(Br)n2c1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine?
The InChIKey is QGCBOQYWKBTYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-6-7(5-11)13-8(10)3-2-4-9(13)12-6/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine?
5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine has a molecular weight of 259.53 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82060520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).