1-(3-bromophenyl)pyrrole-2-carboxylic acid

C11H8BrNO2 — CID 43477066

IUPAC1-(3-bromophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c12-8-3-1-4-9(7-8)13-6-2-5-10(13)11(14)15/h1-7H,(H,14,15)
InChIKeyRYCSENBQRWWOPW-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.94
Rot. Bonds2

About 1-(3-bromophenyl)pyrrole-2-carboxylic acid

1-(3-bromophenyl)pyrrole-2-carboxylic acid (PubChem CID 43477066) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)pyrrole-2-carboxylic acid
PubChem CID43477066
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-(3-bromophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c12-8-3-1-4-9(7-8)13-6-2-5-10(13)11(14)15/h1-7H,(H,14,15)
InChIKeyRYCSENBQRWWOPW-UHFFFAOYSA-N
XLogP2.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)pyrrole-2-carboxylic acid
CID 1491696
1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid
CID 61470230
1-(3-cyanophenyl)pyrrole-2-carboxylic acid
CID 10488716
1-(3-methylsulfanylphenyl)pyrrole-2-carboxylic acid
CID 43477074
1-(4-bromo-2-methylphenyl)pyrrole-2-carboxylic acid
CID 17390087
1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201468
2-(3-bromophenyl)pyrazole-3-carboxylic acid
CID 83740815
1-(4-bromo-3-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82860291
1-[1-(4-bromophenyl)pyrrol-2-yl]ethanone
CID 11129157
4-bromo-1-(3-ethoxyphenyl)pyrrole-2-carboxylic acid
CID 114604589
1-(3-bromophenyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 174881028
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)pyrrole-2-carboxylic acid (CID 43477066) is 1-(3-bromophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)pyrrole-2-carboxylic acid?
The InChIKey is RYCSENBQRWWOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-8-3-1-4-9(7-8)13-6-2-5-10(13)11(14)15/h1-7H,(H,14,15).
What are the key properties of 1-(3-bromophenyl)pyrrole-2-carboxylic acid?
1-(3-bromophenyl)pyrrole-2-carboxylic acid has a molecular weight of 266.09 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43477066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).