5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine

C6H2Cl2FN3 — CID 90135472

IUPAC5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine
SMILESFc1c(Cl)nc2ccnn2c1Cl
InChIInChI=1S/C6H2Cl2FN3/c7-5-4(9)6(8)12-3(11-5)1-2-10-12/h1-2H
InChIKeyODSFOBZQPXXYAU-UHFFFAOYSA-N
MW206.01 g/mol
LogP2.18
Rot. Bonds

About 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine (PubChem CID 90135472) has the molecular formula C6H2Cl2FN3 and a molecular weight of 206.01 g/mol. Its IUPAC name is 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine
PubChem CID90135472
Molecular FormulaC6H2Cl2FN3
Molecular Weight206.01 g/mol
Exact Mass204.96
IUPAC Name5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine
SMILESFc1c(Cl)nc2ccnn2c1Cl
InChIInChI=1S/C6H2Cl2FN3/c7-5-4(9)6(8)12-3(11-5)1-2-10-12/h1-2H
InChIKeyODSFOBZQPXXYAU-UHFFFAOYSA-N
XLogP2.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine (CID 90135472) is 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine is Fc1c(Cl)nc2ccnn2c1Cl.
What is the InChIKey of 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine?
The InChIKey is ODSFOBZQPXXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2FN3/c7-5-4(9)6(8)12-3(11-5)1-2-10-12/h1-2H.
What are the key properties of 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine has a molecular weight of 206.01 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-fluoropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90135472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).