6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde

C11H6BrFN2O — CID 116857791

IUPAC6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1cc(-c2cc(Br)ccc2F)ncn1
InChIInChI=1S/C11H6BrFN2O/c12-7-1-2-10(13)9(3-7)11-4-8(5-16)14-6-15-11/h1-6H
InChIKeyWDPAJKSNYOTBON-UHFFFAOYSA-N
MW281.08 g/mol
LogP2.86
Rot. Bonds2

About 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde

6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde (PubChem CID 116857791) has the molecular formula C11H6BrFN2O and a molecular weight of 281.08 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde
PubChem CID116857791
Molecular FormulaC11H6BrFN2O
Molecular Weight281.08 g/mol
Exact Mass279.96
IUPAC Name6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1cc(-c2cc(Br)ccc2F)ncn1
InChIInChI=1S/C11H6BrFN2O/c12-7-1-2-10(13)9(3-7)11-4-8(5-16)14-6-15-11/h1-6H
InChIKeyWDPAJKSNYOTBON-UHFFFAOYSA-N
XLogP2.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 52.86
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 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde (CID 116857791) is 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde is O=Cc1cc(-c2cc(Br)ccc2F)ncn1.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde?
The InChIKey is WDPAJKSNYOTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O/c12-7-1-2-10(13)9(3-7)11-4-8(5-16)14-6-15-11/h1-6H.
What are the key properties of 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde?
6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde has a molecular weight of 281.08 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 116857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).