methyl 1-bromo-5-chloroindolizine-2-carboxylate

C10H7BrClNO2 — CID 171530971

IUPACmethyl 1-bromo-5-chloroindolizine-2-carboxylate
SMILESCOC(=O)c1cn2c(Cl)cccc2c1Br
InChIInChI=1S/C10H7BrClNO2/c1-15-10(14)6-5-13-7(9(6)11)3-2-4-8(13)12/h2-5H,1H3
InChIKeyJBKGLYKWGNFNOX-UHFFFAOYSA-N
MW288.53 g/mol
LogP3.14
Rot. Bonds1

About methyl 1-bromo-5-chloroindolizine-2-carboxylate

methyl 1-bromo-5-chloroindolizine-2-carboxylate (PubChem CID 171530971) has the molecular formula C10H7BrClNO2 and a molecular weight of 288.53 g/mol. Its IUPAC name is methyl 1-bromo-5-chloroindolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-bromo-5-chloroindolizine-2-carboxylate
PubChem CID171530971
Molecular FormulaC10H7BrClNO2
Molecular Weight288.53 g/mol
Exact Mass286.93
IUPAC Namemethyl 1-bromo-5-chloroindolizine-2-carboxylate
SMILESCOC(=O)c1cn2c(Cl)cccc2c1Br
InChIInChI=1S/C10H7BrClNO2/c1-15-10(14)6-5-13-7(9(6)11)3-2-4-8(13)12/h2-5H,1H3
InChIKeyJBKGLYKWGNFNOX-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067
methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
CID 101440255
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 2-chloro-3-sulfanylbenzoate
CID 70148782
methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
CID 168948261
methyl 2-bromo-3-(2-chloropropanoyl)benzoate
CID 134648539
methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2,5-dimethylindolizine-1-carboxylate
CID 121000758
methyl 2-bromo-3-chloro-4-fluorobenzoate
CID 131090831
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154

Frequently Asked Questions

What is the IUPAC name of methyl 1-bromo-5-chloroindolizine-2-carboxylate?
The IUPAC name of methyl 1-bromo-5-chloroindolizine-2-carboxylate (CID 171530971) is methyl 1-bromo-5-chloroindolizine-2-carboxylate.
What is the SMILES notation for methyl 1-bromo-5-chloroindolizine-2-carboxylate?
The canonical SMILES for methyl 1-bromo-5-chloroindolizine-2-carboxylate is COC(=O)c1cn2c(Cl)cccc2c1Br.
What is the InChIKey of methyl 1-bromo-5-chloroindolizine-2-carboxylate?
The InChIKey is JBKGLYKWGNFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO2/c1-15-10(14)6-5-13-7(9(6)11)3-2-4-8(13)12/h2-5H,1H3.
What are the key properties of methyl 1-bromo-5-chloroindolizine-2-carboxylate?
methyl 1-bromo-5-chloroindolizine-2-carboxylate has a molecular weight of 288.53 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-bromo-5-chloroindolizine-2-carboxylate is sourced from PubChem (CID 171530971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).