5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

C13H6Cl2FN3O2 — CID 103200833

IUPAC5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(-c3cc(F)c(Cl)cc3Cl)ccnc2n1
InChIInChI=1S/C13H6Cl2FN3O2/c14-7-4-8(15)9(16)3-6(7)11-1-2-17-13-18-10(12(20)21)5-19(11)13/h1-5H,(H,20,21)
InChIKeyRFSGQJDPTPHZEB-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.54
Rot. Bonds2

About 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 103200833) has the molecular formula C13H6Cl2FN3O2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID103200833
Molecular FormulaC13H6Cl2FN3O2
Molecular Weight326.11 g/mol
Exact Mass324.98
IUPAC Name5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(-c3cc(F)c(Cl)cc3Cl)ccnc2n1
InChIInChI=1S/C13H6Cl2FN3O2/c14-7-4-8(15)9(16)3-6(7)11-1-2-17-13-18-10(12(20)21)5-19(11)13/h1-5H,(H,20,21)
InChIKeyRFSGQJDPTPHZEB-UHFFFAOYSA-N
XLogP3.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 103200833) is 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(-c3cc(F)c(Cl)cc3Cl)ccnc2n1.
What is the InChIKey of 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is RFSGQJDPTPHZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FN3O2/c14-7-4-8(15)9(16)3-6(7)11-1-2-17-13-18-10(12(20)21)5-19(11)13/h1-5H,(H,20,21).
What are the key properties of 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 326.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).