2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine

C12H5Cl2F3N4 — CID 141108542

IUPAC2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cccnc1-c1cnc2c(Cl)c(Cl)nn2c1
InChIInChI=1S/C12H5Cl2F3N4/c13-8-10(14)20-21-5-6(4-19-11(8)21)9-7(12(15,16)17)2-1-3-18-9/h1-5H
InChIKeyIRUIIIDUFJTUBL-UHFFFAOYSA-N
MW333.10 g/mol
LogP4.12
Rot. Bonds1

About 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine

2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 141108542) has the molecular formula C12H5Cl2F3N4 and a molecular weight of 333.10 g/mol. Its IUPAC name is 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID141108542
Molecular FormulaC12H5Cl2F3N4
Molecular Weight333.10 g/mol
Exact Mass331.98
IUPAC Name2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cccnc1-c1cnc2c(Cl)c(Cl)nn2c1
InChIInChI=1S/C12H5Cl2F3N4/c13-8-10(14)20-21-5-6(4-19-11(8)21)9-7(12(15,16)17)2-1-3-18-9/h1-5H
InChIKeyIRUIIIDUFJTUBL-UHFFFAOYSA-N
XLogP4.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Decoglurant
CID 71533696
R121919
CID 9821250
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 141108542) is 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cccnc1-c1cnc2c(Cl)c(Cl)nn2c1.
What is the InChIKey of 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is IRUIIIDUFJTUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N4/c13-8-10(14)20-21-5-6(4-19-11(8)21)9-7(12(15,16)17)2-1-3-18-9/h1-5H.
What are the key properties of 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine?
2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 333.10 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141108542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).