1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde

C22H15BrN2OS — CID 175353671

IUPAC1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde
SMILESBrc1cccnc1-c1cccc2c1[nH]c1ccccc12.O=Cc1ccsc1
InChIInChI=1S/C17H11BrN2.C5H4OS/c18-14-8-4-10-19-17(14)13-7-3-6-12-11-5-1-2-9-15(11)20-16(12)13;6-3-5-1-2-7-4-5/h1-10,20H;1-4H
InChIKeyVWPPJSJZAKEBPI-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.71
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde

1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde (PubChem CID 175353671) has the molecular formula C22H15BrN2OS and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde
PubChem CID175353671
Molecular FormulaC22H15BrN2OS
Molecular Weight435.35 g/mol
Exact Mass434.01
IUPAC Name1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde
SMILESBrc1cccnc1-c1cccc2c1[nH]c1ccccc12.O=Cc1ccsc1
InChIInChI=1S/C17H11BrN2.C5H4OS/c18-14-8-4-10-19-17(14)13-7-3-6-12-11-5-1-2-9-15(11)20-16(12)13;6-3-5-1-2-7-4-5/h1-10,20H;1-4H
InChIKeyVWPPJSJZAKEBPI-UHFFFAOYSA-N
XLogP6.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde 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 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde (CID 175353671) is 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde is Brc1cccnc1-c1cccc2c1[nH]c1ccccc12.O=Cc1ccsc1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde?
The InChIKey is VWPPJSJZAKEBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2.C5H4OS/c18-14-8-4-10-19-17(14)13-7-3-6-12-11-5-1-2-9-15(11)20-16(12)13;6-3-5-1-2-7-4-5/h1-10,20H;1-4H.
What are the key properties of 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde?
1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde has a molecular weight of 435.35 g/mol, XLogP of 6.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-9H-carbazole;thiophene-3-carbaldehyde is sourced from PubChem (CID 175353671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).