4-(3-fluorophenyl)pyrimidine-2-carbaldehyde

C11H7FN2O — CID 116900284

IUPAC4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
SMILESO=Cc1nccc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H7FN2O/c12-9-3-1-2-8(6-9)10-4-5-13-11(7-15)14-10/h1-7H
InChIKeyXUJUYBLAEUWSOH-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.10
Rot. Bonds2

About 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde

4-(3-fluorophenyl)pyrimidine-2-carbaldehyde (PubChem CID 116900284) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
PubChem CID116900284
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name4-(3-fluorophenyl)pyrimidine-2-carbaldehyde
SMILESO=Cc1nccc(-c2cccc(F)c2)n1
InChIInChI=1S/C11H7FN2O/c12-9-3-1-2-8(6-9)10-4-5-13-11(7-15)14-10/h1-7H
InChIKeyXUJUYBLAEUWSOH-UHFFFAOYSA-N
XLogP2.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.10
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 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde?
The IUPAC name of 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde (CID 116900284) is 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde is O=Cc1nccc(-c2cccc(F)c2)n1.
What is the InChIKey of 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde?
The InChIKey is XUJUYBLAEUWSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c12-9-3-1-2-8(6-9)10-4-5-13-11(7-15)14-10/h1-7H.
What are the key properties of 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde?
4-(3-fluorophenyl)pyrimidine-2-carbaldehyde has a molecular weight of 202.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 116900284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).