methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate

C9H6BrClN2O2 — CID 46948729

IUPACmethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Cl)cn2c1Br
InChIInChI=1S/C9H6BrClN2O2/c1-15-9(14)7-8(10)13-4-5(11)2-3-6(13)12-7/h2-4H,1H3
InChIKeyFOCOPINZEGBEHD-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.54
Rot. Bonds1

About methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate

methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 46948729) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID46948729
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Namemethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2ccc(Cl)cn2c1Br
InChIInChI=1S/C9H6BrClN2O2/c1-15-9(14)7-8(10)13-4-5(11)2-3-6(13)12-7/h2-4H,1H3
InChIKeyFOCOPINZEGBEHD-UHFFFAOYSA-N
XLogP2.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045
2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253910
3-bromo-6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83693958
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117253926
methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101054
methyl 2-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,2,4-triazole-3-carboxylate
CID 67324457
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
methyl 7-iodo-3-methoxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 70807298
2-[[6-chloro-3-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-2-yl]amino]-N-hydroxyacetamide
CID 141240832

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate (CID 46948729) is methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2ccc(Cl)cn2c1Br.
What is the InChIKey of methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is FOCOPINZEGBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-15-9(14)7-8(10)13-4-5(11)2-3-6(13)12-7/h2-4H,1H3.
What are the key properties of methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 289.52 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 46948729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).