4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid

C16H10BrNO3 — CID 115353710

IUPAC4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(c1c[nH]c(C(=O)O)c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H10BrNO3/c17-13-4-3-9-5-11(2-1-10(9)6-13)15(19)12-7-14(16(20)21)18-8-12/h1-8,18H,(H,20,21)
InChIKeyFUUKAVMCXJQTIC-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.86
Rot. Bonds3

About 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid

4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115353710) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID115353710
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(c1c[nH]c(C(=O)O)c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H10BrNO3/c17-13-4-3-9-5-11(2-1-10(9)6-13)15(19)12-7-14(16(20)21)18-8-12/h1-8,18H,(H,20,21)
InChIKeyFUUKAVMCXJQTIC-UHFFFAOYSA-N
XLogP3.86
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid (CID 115353710) is 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid is O=C(c1c[nH]c(C(=O)O)c1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is FUUKAVMCXJQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-13-4-3-9-5-11(2-1-10(9)6-13)15(19)12-7-14(16(20)21)18-8-12/h1-8,18H,(H,20,21).
What are the key properties of 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid?
4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 344.16 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalene-2-carbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115353710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).