4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid

C10H8BrNO3 — CID 91672852

IUPAC4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(-c2ccco2)c(Br)c1C(=O)O
InChIInChI=1S/C10H8BrNO3/c1-5-7(10(13)14)8(11)9(12-5)6-3-2-4-15-6/h2-4,12H,1H3,(H,13,14)
InChIKeyKFWPGOOZPCARMO-UHFFFAOYSA-N
MW270.08 g/mol
LogP3.04
Rot. Bonds2

About 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid

4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 91672852) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID91672852
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(-c2ccco2)c(Br)c1C(=O)O
InChIInChI=1S/C10H8BrNO3/c1-5-7(10(13)14)8(11)9(12-5)6-3-2-4-15-6/h2-4,12H,1H3,(H,13,14)
InChIKeyKFWPGOOZPCARMO-UHFFFAOYSA-N
XLogP3.04
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid (CID 91672852) is 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(-c2ccco2)c(Br)c1C(=O)O.
What is the InChIKey of 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is KFWPGOOZPCARMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-5-7(10(13)14)8(11)9(12-5)6-3-2-4-15-6/h2-4,12H,1H3,(H,13,14).
What are the key properties of 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid?
4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 270.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(furan-2-yl)-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 91672852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).