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

C7H4ClN3O — CID 83828452

IUPAC3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2ncc(Cl)n2c1
InChIInChI=1S/C7H4ClN3O/c8-6-2-10-7-9-1-5(4-12)3-11(6)7/h1-4H
InChIKeyWWLDSRIGIDOYLD-UHFFFAOYSA-N
MW181.58 g/mol
LogP1.20
Rot. Bonds1

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

3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde (PubChem CID 83828452) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde
PubChem CID83828452
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde
SMILESO=Cc1cnc2ncc(Cl)n2c1
InChIInChI=1S/C7H4ClN3O/c8-6-2-10-7-9-1-5(4-12)3-11(6)7/h1-4H
InChIKeyWWLDSRIGIDOYLD-UHFFFAOYSA-N
XLogP1.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 51.20
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 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde (CID 83828452) is 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde is O=Cc1cnc2ncc(Cl)n2c1.
What is the InChIKey of 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde?
The InChIKey is WWLDSRIGIDOYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-6-2-10-7-9-1-5(4-12)3-11(6)7/h1-4H.
What are the key properties of 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde?
3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde has a molecular weight of 181.58 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroimidazo[1,2-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 83828452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).