1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde

C10H6Br2N2O — CID 87532992

IUPAC1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1nccc(Br)c1Br
InChIInChI=1S/C10H6Br2N2O/c11-8-3-4-13-10(9(8)12)14-5-1-2-7(14)6-15/h1-6H
InChIKeyTYHNIMKWTSGJPZ-UHFFFAOYSA-N
MW329.98 g/mol
LogP3.21
Rot. Bonds2

About 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde

1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde (PubChem CID 87532992) has the molecular formula C10H6Br2N2O and a molecular weight of 329.98 g/mol. Its IUPAC name is 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde
PubChem CID87532992
Molecular FormulaC10H6Br2N2O
Molecular Weight329.98 g/mol
Exact Mass327.88
IUPAC Name1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1nccc(Br)c1Br
InChIInChI=1S/C10H6Br2N2O/c11-8-3-4-13-10(9(8)12)14-5-1-2-7(14)6-15/h1-6H
InChIKeyTYHNIMKWTSGJPZ-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.98
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde (CID 87532992) is 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1nccc(Br)c1Br.
What is the InChIKey of 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde?
The InChIKey is TYHNIMKWTSGJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O/c11-8-3-4-13-10(9(8)12)14-5-1-2-7(14)6-15/h1-6H.
What are the key properties of 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde?
1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde has a molecular weight of 329.98 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibromo-2-pyridinyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 87532992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).