5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H4Cl2F3N5 — CID 11653355

IUPAC5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)c(-c3ncccc3C(F)(F)F)c(Cl)nc12
InChIInChI=1S/C13H4Cl2F3N5/c14-10-8(9-7(13(16,17)18)2-1-3-20-9)11(15)23-12(22-10)6(4-19)5-21-23/h1-3,5H
InChIKeyFJRUECGBLBRRBI-UHFFFAOYSA-N
MW358.11 g/mol
LogP3.99
Rot. Bonds1

About 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 11653355) has the molecular formula C13H4Cl2F3N5 and a molecular weight of 358.11 g/mol. Its IUPAC name is 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID11653355
Molecular FormulaC13H4Cl2F3N5
Molecular Weight358.11 g/mol
Exact Mass356.98
IUPAC Name5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)c(-c3ncccc3C(F)(F)F)c(Cl)nc12
InChIInChI=1S/C13H4Cl2F3N5/c14-10-8(9-7(13(16,17)18)2-1-3-20-9)11(15)23-12(22-10)6(4-19)5-21-23/h1-3,5H
InChIKeyFJRUECGBLBRRBI-UHFFFAOYSA-N
XLogP3.99
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 11653355) is 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(Cl)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FJRUECGBLBRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl2F3N5/c14-10-8(9-7(13(16,17)18)2-1-3-20-9)11(15)23-12(22-10)6(4-19)5-21-23/h1-3,5H.
What are the key properties of 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 358.11 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 11653355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).