methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate

C15H10BrNO4 — CID 43917217

IUPACmethyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2occc2Br)c2ccccc12
InChIInChI=1S/C15H10BrNO4/c1-20-15(19)10-8-17(12-5-3-2-4-9(10)12)14(18)13-11(16)6-7-21-13/h2-8H,1H3
InChIKeyYDYOYYNJOGISIN-UHFFFAOYSA-N
MW348.15 g/mol
LogP3.47
Rot. Bonds2

About methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate

methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate (PubChem CID 43917217) has the molecular formula C15H10BrNO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate
PubChem CID43917217
Molecular FormulaC15H10BrNO4
Molecular Weight348.15 g/mol
Exact Mass346.98
IUPAC Namemethyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2occc2Br)c2ccccc12
InChIInChI=1S/C15H10BrNO4/c1-20-15(19)10-8-17(12-5-3-2-4-9(10)12)14(18)13-11(16)6-7-21-13/h2-8H,1H3
InChIKeyYDYOYYNJOGISIN-UHFFFAOYSA-N
XLogP3.47
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 703721
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-(3,4-dimethoxybenzoyl)indole-3-carboxylate
CID 703705
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methyl 1-[(E)-1-bromo-2-iodo-2-phenylethenyl]indole-3-carboxylate
CID 102359655
methyl 1-[2-(4-bromophenoxy)acetyl]indole-3-carboxylate
CID 1370349
methyl 1-(5-chloro-2-methoxybenzoyl)indole-3-carboxylate
CID 7376054
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate (CID 43917217) is methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2occc2Br)c2ccccc12.
What is the InChIKey of methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate?
The InChIKey is YDYOYYNJOGISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4/c1-20-15(19)10-8-17(12-5-3-2-4-9(10)12)14(18)13-11(16)6-7-21-13/h2-8H,1H3.
What are the key properties of methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate?
methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate has a molecular weight of 348.15 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-bromofuran-2-carbonyl)indole-3-carboxylate is sourced from PubChem (CID 43917217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).