6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

C15H9BrN2O — CID 46937301

IUPAC6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c2[nH]c2cccc(Br)c21
InChIInChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
InChIKeyIYKWFKKDLTZONH-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.38
Rot. Bonds1

About 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde

6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (PubChem CID 46937301) has the molecular formula C15H9BrN2O and a molecular weight of 313.15 g/mol. Its IUPAC name is 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
PubChem CID46937301
Molecular FormulaC15H9BrN2O
Molecular Weight313.15 g/mol
Exact Mass311.99
IUPAC Name6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
SMILESO=Cc1c[nH]c2c1ccc1c2[nH]c2cccc(Br)c21
InChIInChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H
InChIKeyIYKWFKKDLTZONH-UHFFFAOYSA-N
XLogP4.38
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The IUPAC name of 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde (CID 46937301) is 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde.
What is the SMILES notation for 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The canonical SMILES for 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is O=Cc1c[nH]c2c1ccc1c2[nH]c2cccc(Br)c21.
What is the InChIKey of 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
The InChIKey is IYKWFKKDLTZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O/c16-11-2-1-3-12-13(11)10-5-4-9-8(7-19)6-17-14(9)15(10)18-12/h1-7,17-18H.
What are the key properties of 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde?
6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde has a molecular weight of 313.15 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde is sourced from PubChem (CID 46937301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).