3-(4-bromobenzoyl)indolizine-1-carboxylic acid

C16H10BrNO3 — CID 118724656

IUPAC3-(4-bromobenzoyl)indolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12
InChIInChI=1S/C16H10BrNO3/c17-11-6-4-10(5-7-11)15(19)14-9-12(16(20)21)13-3-1-2-8-18(13)14/h1-9H,(H,20,21)
InChIKeyBSUFBBVCMRAQDK-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.63
Rot. Bonds3

About 3-(4-bromobenzoyl)indolizine-1-carboxylic acid

3-(4-bromobenzoyl)indolizine-1-carboxylic acid (PubChem CID 118724656) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 3-(4-bromobenzoyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromobenzoyl)indolizine-1-carboxylic acid
PubChem CID118724656
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name3-(4-bromobenzoyl)indolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12
InChIInChI=1S/C16H10BrNO3/c17-11-6-4-10(5-7-11)15(19)14-9-12(16(20)21)13-3-1-2-8-18(13)14/h1-9H,(H,20,21)
InChIKeyBSUFBBVCMRAQDK-UHFFFAOYSA-N
XLogP3.63
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromobenzoyl)indolizine-1-carboxylic acid?
The IUPAC name of 3-(4-bromobenzoyl)indolizine-1-carboxylic acid (CID 118724656) is 3-(4-bromobenzoyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 3-(4-bromobenzoyl)indolizine-1-carboxylic acid?
The canonical SMILES for 3-(4-bromobenzoyl)indolizine-1-carboxylic acid is O=C(O)c1cc(C(=O)c2ccc(Br)cc2)n2ccccc12.
What is the InChIKey of 3-(4-bromobenzoyl)indolizine-1-carboxylic acid?
The InChIKey is BSUFBBVCMRAQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-11-6-4-10(5-7-11)15(19)14-9-12(16(20)21)13-3-1-2-8-18(13)14/h1-9H,(H,20,21).
What are the key properties of 3-(4-bromobenzoyl)indolizine-1-carboxylic acid?
3-(4-bromobenzoyl)indolizine-1-carboxylic acid has a molecular weight of 344.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromobenzoyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 118724656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).