5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine

C6H3ClFN3 — CID 90135474

IUPAC5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine
SMILESFc1cn2nccc2nc1Cl
InChIInChI=1S/C6H3ClFN3/c7-6-4(8)3-11-5(10-6)1-2-9-11/h1-3H
InChIKeyPWMLJGIPANYYKW-UHFFFAOYSA-N
MW171.56 g/mol
LogP1.52
Rot. Bonds

About 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine

5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine (PubChem CID 90135474) has the molecular formula C6H3ClFN3 and a molecular weight of 171.56 g/mol. Its IUPAC name is 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine
PubChem CID90135474
Molecular FormulaC6H3ClFN3
Molecular Weight171.56 g/mol
Exact Mass171.00
IUPAC Name5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine
SMILESFc1cn2nccc2nc1Cl
InChIInChI=1S/C6H3ClFN3/c7-6-4(8)3-11-5(10-6)1-2-9-11/h1-3H
InChIKeyPWMLJGIPANYYKW-UHFFFAOYSA-N
XLogP1.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine (CID 90135474) is 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine is Fc1cn2nccc2nc1Cl.
What is the InChIKey of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine?
The InChIKey is PWMLJGIPANYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3/c7-6-4(8)3-11-5(10-6)1-2-9-11/h1-3H.
What are the key properties of 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine?
5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine has a molecular weight of 171.56 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90135474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).