2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde

C14H8BrFN2O — CID 166066334

IUPAC2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-n2ccc3c(Br)cccc32)c1F
InChIInChI=1S/C14H8BrFN2O/c15-11-2-1-3-12-10(11)5-7-18(12)14-13(16)9(8-19)4-6-17-14/h1-8H
InChIKeyZWHZZUJRHGUSIJ-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.74
Rot. Bonds2

About 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde

2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde (PubChem CID 166066334) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde
PubChem CID166066334
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde
SMILESO=Cc1ccnc(-n2ccc3c(Br)cccc32)c1F
InChIInChI=1S/C14H8BrFN2O/c15-11-2-1-3-12-10(11)5-7-18(12)14-13(16)9(8-19)4-6-17-14/h1-8H
InChIKeyZWHZZUJRHGUSIJ-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.74
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 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde?
The IUPAC name of 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde (CID 166066334) is 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde?
The canonical SMILES for 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde is O=Cc1ccnc(-n2ccc3c(Br)cccc32)c1F.
What is the InChIKey of 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde?
The InChIKey is ZWHZZUJRHGUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-11-2-1-3-12-10(11)5-7-18(12)14-13(16)9(8-19)4-6-17-14/h1-8H.
What are the key properties of 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde?
2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde has a molecular weight of 319.13 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-3-fluoropyridine-4-carbaldehyde is sourced from PubChem (CID 166066334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).