5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid

C15H14BrNO3 — CID 107622885

IUPAC5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)n2C2CC2)ccc1Br
InChIInChI=1S/C15H14BrNO3/c1-20-14-8-9(2-5-11(14)16)12-6-7-13(15(18)19)17(12)10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,18,19)
InChIKeyXIVLTYXEZVHDQX-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.96
Rot. Bonds4

About 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid

5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid (PubChem CID 107622885) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
PubChem CID107622885
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)n2C2CC2)ccc1Br
InChIInChI=1S/C15H14BrNO3/c1-20-14-8-9(2-5-11(14)16)12-6-7-13(15(18)19)17(12)10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,18,19)
InChIKeyXIVLTYXEZVHDQX-UHFFFAOYSA-N
XLogP3.96
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 43671824
5-(3-bromo-4-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095061
1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
CID 43671726
5-(5-bromo-2-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095064
1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82860291
5-(2,4-dibromo-5-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 103416572
1-cyclopropyl-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092878
3-amino-1-cyclopropyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82467193
2-(4-bromo-3-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374429
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
(1S,4S)-N-(4-bromo-3-methoxyphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 98345787
1-(4-bromo-3-methoxyphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606378

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid (CID 107622885) is 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid is COc1cc(-c2ccc(C(=O)O)n2C2CC2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
The InChIKey is XIVLTYXEZVHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-20-14-8-9(2-5-11(14)16)12-6-7-13(15(18)19)17(12)10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,18,19).
What are the key properties of 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid has a molecular weight of 336.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid is sourced from PubChem (CID 107622885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).