ethyl 2,3-dibromoindolizine-7-carboxylate

C11H9Br2NO2 — CID 102279056

IUPACethyl 2,3-dibromoindolizine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(Br)c(Br)cc2c1
InChIInChI=1S/C11H9Br2NO2/c1-2-16-11(15)7-3-4-14-8(5-7)6-9(12)10(14)13/h3-6H,2H2,1H3
InChIKeyKNZMXRWHJAOTIY-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.64
Rot. Bonds2

About ethyl 2,3-dibromoindolizine-7-carboxylate

ethyl 2,3-dibromoindolizine-7-carboxylate (PubChem CID 102279056) has the molecular formula C11H9Br2NO2 and a molecular weight of 347.01 g/mol. Its IUPAC name is ethyl 2,3-dibromoindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dibromoindolizine-7-carboxylate
PubChem CID102279056
Molecular FormulaC11H9Br2NO2
Molecular Weight347.01 g/mol
Exact Mass344.90
IUPAC Nameethyl 2,3-dibromoindolizine-7-carboxylate
SMILESCCOC(=O)c1ccn2c(Br)c(Br)cc2c1
InChIInChI=1S/C11H9Br2NO2/c1-2-16-11(15)7-3-4-14-8(5-7)6-9(12)10(14)13/h3-6H,2H2,1H3
InChIKeyKNZMXRWHJAOTIY-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-bromo-4-(2-oxopropyl)benzoate
CID 134632847
ethyl 3-bromo-4-(methoxymethyl)benzoate
CID 81430155
ethyl 4-acetyl-3-bromobenzoate
CID 70257309
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
CID 59419625
ethyl 3-bromo-4-(3-chloropropyl)benzoate
CID 134632858
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-bromo-3-hydrazinylbenzoate
CID 131028367
ethyl 3-bromo-4-chloro-5-fluorobenzoate
CID 50997980
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 2-phenylpyrazolo[1,5-a]pyridine-5-carboxylate
CID 46223052
ethyl 4-bromo-3-thiocyanatobenzoate
CID 86767443

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dibromoindolizine-7-carboxylate?
The IUPAC name of ethyl 2,3-dibromoindolizine-7-carboxylate (CID 102279056) is ethyl 2,3-dibromoindolizine-7-carboxylate.
What is the SMILES notation for ethyl 2,3-dibromoindolizine-7-carboxylate?
The canonical SMILES for ethyl 2,3-dibromoindolizine-7-carboxylate is CCOC(=O)c1ccn2c(Br)c(Br)cc2c1.
What is the InChIKey of ethyl 2,3-dibromoindolizine-7-carboxylate?
The InChIKey is KNZMXRWHJAOTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2/c1-2-16-11(15)7-3-4-14-8(5-7)6-9(12)10(14)13/h3-6H,2H2,1H3.
What are the key properties of ethyl 2,3-dibromoindolizine-7-carboxylate?
ethyl 2,3-dibromoindolizine-7-carboxylate has a molecular weight of 347.01 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dibromoindolizine-7-carboxylate is sourced from PubChem (CID 102279056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).