6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde

C7H4FN3O — CID 167346079

IUPAC6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2ncc(F)cn12
InChIInChI=1S/C7H4FN3O/c8-5-1-9-7-10-2-6(4-12)11(7)3-5/h1-4H
InChIKeyMMCXDWYFEMUTPC-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.68
Rot. Bonds1

About 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde

6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 167346079) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID167346079
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2ncc(F)cn12
InChIInChI=1S/C7H4FN3O/c8-5-1-9-7-10-2-6(4-12)11(7)3-5/h1-4H
InChIKeyMMCXDWYFEMUTPC-UHFFFAOYSA-N
XLogP0.68
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 167346079) is 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1cnc2ncc(F)cn12.
What is the InChIKey of 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is MMCXDWYFEMUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-5-1-9-7-10-2-6(4-12)11(7)3-5/h1-4H.
What are the key properties of 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 165.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 167346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).