2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid

C16H12BrNO3 — CID 3360201

IUPAC2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
SMILESCOc1ccc(-c2cn3ccccc3c2C(=O)O)cc1Br
InChIInChI=1S/C16H12BrNO3/c1-21-14-6-5-10(8-12(14)17)11-9-18-7-3-2-4-13(18)15(11)16(19)20/h2-9H,1H3,(H,19,20)
InChIKeyWUUBVGRQUCTEGA-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.08
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid

2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid (PubChem CID 3360201) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
PubChem CID3360201
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid
SMILESCOc1ccc(-c2cn3ccccc3c2C(=O)O)cc1Br
InChIInChI=1S/C16H12BrNO3/c1-21-14-6-5-10(8-12(14)17)11-9-18-7-3-2-4-13(18)15(11)16(19)20/h2-9H,1H3,(H,19,20)
InChIKeyWUUBVGRQUCTEGA-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4307443
2-(3-butan-2-yl-4-methoxyphenyl)indolizine-1-carboxylic acid
CID 4222676
2-(5-tert-butyl-2-methoxyphenyl)indolizine-1-carboxylic acid
CID 3637205
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
2-(4-methoxy-2,3,5-trimethylphenyl)indolizine-1-carboxylic acid
CID 4006368
4-(3-bromo-4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 84605719
2-(4-methoxy-3-methylphenyl)indolizin-1-amine
CID 82377823
ethyl 2-(4-bromophenyl)indolizine-1-carboxylate
CID 2763725
2-[4-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 84606316
2-(4-tert-butyl-2,5-diethoxyphenyl)indolizine-1-carboxylic acid
CID 3336525
2-thiophen-2-ylindolizine-1-carboxylic acid
CID 3992519
5-(3-bromo-4-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095061

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid (CID 3360201) is 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid is COc1ccc(-c2cn3ccccc3c2C(=O)O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid?
The InChIKey is WUUBVGRQUCTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-21-14-6-5-10(8-12(14)17)11-9-18-7-3-2-4-13(18)15(11)16(19)20/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid?
2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid has a molecular weight of 346.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)indolizine-1-carboxylic acid is sourced from PubChem (CID 3360201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).