5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid

C16H12BrNO2 — CID 81259602

IUPAC5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrNO2/c1-18-14(6-7-15(18)16(19)20)12-3-2-11-9-13(17)5-4-10(11)8-12/h2-9H,1H3,(H,19,20)
InChIKeyLBCSBGZVZINAJF-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.31
Rot. Bonds2

About 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid

5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 81259602) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid
PubChem CID81259602
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrNO2/c1-18-14(6-7-15(18)16(19)20)12-3-2-11-9-13(17)5-4-10(11)8-12/h2-9H,1H3,(H,19,20)
InChIKeyLBCSBGZVZINAJF-UHFFFAOYSA-N
XLogP4.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid (CID 81259602) is 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is LBCSBGZVZINAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-18-14(6-7-15(18)16(19)20)12-3-2-11-9-13(17)5-4-10(11)8-12/h2-9H,1H3,(H,19,20).
What are the key properties of 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid?
5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 330.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromonaphthalen-2-yl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 81259602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).