7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde

C17H11BrF2N2O — CID 161166264

IUPAC7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde
SMILESFc1ccc(Br)c2[nH]ccc12.O=Cc1ccc(F)c2cc[nH]c12
InChIInChI=1S/C9H6FNO.C8H5BrFN/c10-8-2-1-6(5-12)9-7(8)3-4-11-9;9-6-1-2-7(10)5-3-4-11-8(5)6/h1-5,11H;1-4,11H
InChIKeyUQOQXXDPFNZFRH-UHFFFAOYSA-N
MW377.19 g/mol
LogP5.19
Rot. Bonds1

About 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde

7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde (PubChem CID 161166264) has the molecular formula C17H11BrF2N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde
PubChem CID161166264
Molecular FormulaC17H11BrF2N2O
Molecular Weight377.19 g/mol
Exact Mass376.00
IUPAC Name7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde
SMILESFc1ccc(Br)c2[nH]ccc12.O=Cc1ccc(F)c2cc[nH]c12
InChIInChI=1S/C9H6FNO.C8H5BrFN/c10-8-2-1-6(5-12)9-7(8)3-4-11-9;9-6-1-2-7(10)5-3-4-11-8(5)6/h1-5,11H;1-4,11H
InChIKeyUQOQXXDPFNZFRH-UHFFFAOYSA-N
XLogP5.19
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.19
LogP ≤ 55.19
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 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde?
The IUPAC name of 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde (CID 161166264) is 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde.
What is the SMILES notation for 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde?
The canonical SMILES for 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde is Fc1ccc(Br)c2[nH]ccc12.O=Cc1ccc(F)c2cc[nH]c12.
What is the InChIKey of 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde?
The InChIKey is UQOQXXDPFNZFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO.C8H5BrFN/c10-8-2-1-6(5-12)9-7(8)3-4-11-9;9-6-1-2-7(10)5-3-4-11-8(5)6/h1-5,11H;1-4,11H.
What are the key properties of 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde?
7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde has a molecular weight of 377.19 g/mol, XLogP of 5.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde is sourced from PubChem (CID 161166264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).