5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

C11H6Cl2N4 — CID 82274339

IUPAC5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(-c3cccnc3)c2n1
InChIInChI=1S/C11H6Cl2N4/c12-9-4-10(13)17-11(16-9)8(6-15-17)7-2-1-3-14-5-7/h1-6H
InChIKeyKTHYDERUZPICJE-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.10
Rot. Bonds1

About 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274339) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82274339
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(-c3cccnc3)c2n1
InChIInChI=1S/C11H6Cl2N4/c12-9-4-10(13)17-11(16-9)8(6-15-17)7-2-1-3-14-5-7/h1-6H
InChIKeyKTHYDERUZPICJE-UHFFFAOYSA-N
XLogP3.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82274347
5,7-dichloro-3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 82274342
5-methyl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 176942036
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
3-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 11299190
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822346
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
6-chloro-2-pyridin-3-ylpyridin-3-ol
CID 166174969
6-chloro-3-phenylimidazo[1,2-b]pyridazine;6-chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine
CID 167431604
7-chloro-2-phenyl-4-pyridin-3-ylquinoline
CID 162750948
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine (CID 82274339) is 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2ncc(-c3cccnc3)c2n1.
What is the InChIKey of 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KTHYDERUZPICJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-9-4-10(13)17-11(16-9)8(6-15-17)7-2-1-3-14-5-7/h1-6H.
What are the key properties of 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 265.10 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).