5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid

C14H12BrNO2 — CID 43671824

IUPAC5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Br)c2)n1C1CC1
InChIInChI=1S/C14H12BrNO2/c15-10-3-1-2-9(8-10)12-6-7-13(14(17)18)16(12)11-4-5-11/h1-3,6-8,11H,4-5H2,(H,17,18)
InChIKeyHCSXMBOJDBEKQL-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.95
Rot. Bonds3

About 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid

5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid (PubChem CID 43671824) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid
PubChem CID43671824
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(Br)c2)n1C1CC1
InChIInChI=1S/C14H12BrNO2/c15-10-3-1-2-9(8-10)12-6-7-13(14(17)18)16(12)11-4-5-11/h1-3,6-8,11H,4-5H2,(H,17,18)
InChIKeyHCSXMBOJDBEKQL-UHFFFAOYSA-N
XLogP3.95
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 107622885
1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
CID 43671726
4-(3-bromophenyl)-1-cyclopropyl-2-oxopyrimidine-5-carboxylic acid
CID 116851857
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[5-(3-bromophenyl)-1-methylpyrrol-2-yl]methanone
CID 125146843
5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid
CID 81259602
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxylic acid
CID 112707623
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
1-bromo-3-phenylbenzene
CID 16449
1-(3-bromophenyl)pyrrole-2-carboxylic acid
CID 43477066
6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 90478004
7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609302
2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
CID 103097572

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid (CID 43671824) is 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2cccc(Br)c2)n1C1CC1.
What is the InChIKey of 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
The InChIKey is HCSXMBOJDBEKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-10-3-1-2-9(8-10)12-6-7-13(14(17)18)16(12)11-4-5-11/h1-3,6-8,11H,4-5H2,(H,17,18).
What are the key properties of 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid?
5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid has a molecular weight of 306.16 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-cyclopropylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43671824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).