3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine

C15H10BrCl2N3O3 — CID 11796916

IUPAC3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2c(OCc3c(Cl)ccc([N+](=O)[O-])c3Cl)cccn2c1Br
InChIInChI=1S/C15H10BrCl2N3O3/c1-8-14(16)20-6-2-3-12(15(20)19-8)24-7-9-10(17)4-5-11(13(9)18)21(22)23/h2-6H,7H2,1H3
InChIKeyORKHSKGMZMXCSI-UHFFFAOYSA-N
MW431.07 g/mol
LogP5.20
Rot. Bonds4

About 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine

3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine (PubChem CID 11796916) has the molecular formula C15H10BrCl2N3O3 and a molecular weight of 431.07 g/mol. Its IUPAC name is 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
PubChem CID11796916
Molecular FormulaC15H10BrCl2N3O3
Molecular Weight431.07 g/mol
Exact Mass428.93
IUPAC Name3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2c(OCc3c(Cl)ccc([N+](=O)[O-])c3Cl)cccn2c1Br
InChIInChI=1S/C15H10BrCl2N3O3/c1-8-14(16)20-6-2-3-12(15(20)19-8)24-7-9-10(17)4-5-11(13(9)18)21(22)23/h2-6H,7H2,1H3
InChIKeyORKHSKGMZMXCSI-UHFFFAOYSA-N
XLogP5.20
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.07
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloroaniline;dihydrochloride
CID 18923317
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]pyrrole-2-carbonitrile
CID 18321947
1-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-1,3-dimethylurea
CID 10504612
2-[acetyl(bromo)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 18923379
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]propanamide
CID 10649831
[acetyl-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino] acetate;hydrochloride
CID 18923532
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 45261914
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 23371741
2-[acetyl(pyridin-3-yl)amino]-N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 18923462
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 18923274
N-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]carbamoyl]benzamide
CID 10579723
N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]heptanamide
CID 18923575

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine (CID 11796916) is 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine is Cc1nc2c(OCc3c(Cl)ccc([N+](=O)[O-])c3Cl)cccn2c1Br.
What is the InChIKey of 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
The InChIKey is ORKHSKGMZMXCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O3/c1-8-14(16)20-6-2-3-12(15(20)19-8)24-7-9-10(17)4-5-11(13(9)18)21(22)23/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine?
3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine has a molecular weight of 431.07 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(2,6-dichloro-3-nitrophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 11796916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).