3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde

C7H3ClFN3O — CID 55267556

IUPAC3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1nc2nccc(F)n2c1Cl
InChIInChI=1S/C7H3ClFN3O/c8-6-4(3-13)11-7-10-2-1-5(9)12(6)7/h1-3H
InChIKeyDXUMYOBOTNAZBP-UHFFFAOYSA-N
MW199.57 g/mol
LogP1.33
Rot. Bonds1

About 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde

3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde (PubChem CID 55267556) has the molecular formula C7H3ClFN3O and a molecular weight of 199.57 g/mol. Its IUPAC name is 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
PubChem CID55267556
Molecular FormulaC7H3ClFN3O
Molecular Weight199.57 g/mol
Exact Mass198.99
IUPAC Name3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1nc2nccc(F)n2c1Cl
InChIInChI=1S/C7H3ClFN3O/c8-6-4(3-13)11-7-10-2-1-5(9)12(6)7/h1-3H
InChIKeyDXUMYOBOTNAZBP-UHFFFAOYSA-N
XLogP1.33
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.57
LogP ≤ 51.33
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-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde (CID 55267556) is 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde is O=Cc1nc2nccc(F)n2c1Cl.
What is the InChIKey of 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The InChIKey is DXUMYOBOTNAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3O/c8-6-4(3-13)11-7-10-2-1-5(9)12(6)7/h1-3H.
What are the key properties of 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde has a molecular weight of 199.57 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 55267556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).