5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine

C20H14BrN — CID 3429918

IUPAC5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)C(=Cc1ccc(Br)cc1)c1cccnc1-2
InChIInChI=1S/C20H14BrN/c1-13-4-9-17-18(11-13)19(16-3-2-10-22-20(16)17)12-14-5-7-15(21)8-6-14/h2-12H,1H3
InChIKeyHVSIEFDVDMAVPE-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.72
Rot. Bonds1

About 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine

5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine (PubChem CID 3429918) has the molecular formula C20H14BrN and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine
PubChem CID3429918
Molecular FormulaC20H14BrN
Molecular Weight348.24 g/mol
Exact Mass347.03
IUPAC Name5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)C(=Cc1ccc(Br)cc1)c1cccnc1-2
InChIInChI=1S/C20H14BrN/c1-13-4-9-17-18(11-13)19(16-3-2-10-22-20(16)17)12-14-5-7-15(21)8-6-14/h2-12H,1H3
InChIKeyHVSIEFDVDMAVPE-UHFFFAOYSA-N
XLogP5.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine (CID 3429918) is 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine is Cc1ccc2c(c1)C(=Cc1ccc(Br)cc1)c1cccnc1-2.
What is the InChIKey of 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine?
The InChIKey is HVSIEFDVDMAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN/c1-13-4-9-17-18(11-13)19(16-3-2-10-22-20(16)17)12-14-5-7-15(21)8-6-14/h2-12H,1H3.
What are the key properties of 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine?
5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine has a molecular weight of 348.24 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methylidene]-7-methylindeno[1,2-b]pyridine is sourced from PubChem (CID 3429918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).