propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate

C12H13BrN2O2 — CID 53249941

IUPACpropan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCc1cn2cc(C(=O)OC(C)C)cc(Br)c2n1
InChIInChI=1S/C12H13BrN2O2/c1-7(2)17-12(16)9-4-10(13)11-14-8(3)5-15(11)6-9/h4-7H,1-3H3
InChIKeyDABJKKRHPKIISQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.97
Rot. Bonds2

About propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate

propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53249941) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53249941
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Namepropan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCc1cn2cc(C(=O)OC(C)C)cc(Br)c2n1
InChIInChI=1S/C12H13BrN2O2/c1-7(2)17-12(16)9-4-10(13)11-14-8(3)5-15(11)6-9/h4-7H,1-3H3
InChIKeyDABJKKRHPKIISQ-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate (CID 53249941) is propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate is Cc1cn2cc(C(=O)OC(C)C)cc(Br)c2n1.
What is the InChIKey of propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is DABJKKRHPKIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7(2)17-12(16)9-4-10(13)11-14-8(3)5-15(11)6-9/h4-7H,1-3H3.
What are the key properties of propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate?
propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 297.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 8-bromo-2-methylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53249941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).