1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde

C11H7BrFNO — CID 3444369

IUPAC1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFNO/c12-8-3-4-11(10(13)6-8)14-5-1-2-9(14)7-15/h1-7H
InChIKeyRQPFFMDRBVXCEK-UHFFFAOYSA-N
MW268.08 g/mol
LogP3.19
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde

1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde (PubChem CID 3444369) has the molecular formula C11H7BrFNO and a molecular weight of 268.08 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde
PubChem CID3444369
Molecular FormulaC11H7BrFNO
Molecular Weight268.08 g/mol
Exact Mass266.97
IUPAC Name1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(Br)cc1F
InChIInChI=1S/C11H7BrFNO/c12-8-3-4-11(10(13)6-8)14-5-1-2-9(14)7-15/h1-7H
InChIKeyRQPFFMDRBVXCEK-UHFFFAOYSA-N
XLogP3.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde (CID 3444369) is 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde?
The InChIKey is RQPFFMDRBVXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO/c12-8-3-4-11(10(13)6-8)14-5-1-2-9(14)7-15/h1-7H.
What are the key properties of 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde?
1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde has a molecular weight of 268.08 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 3444369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).