6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine

C8H6F2IN3O — CID 171505657

IUPAC6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
SMILESFC(F)COc1cnc2c(I)cnn2c1
InChIInChI=1S/C8H6F2IN3O/c9-7(10)4-15-5-1-12-8-6(11)2-13-14(8)3-5/h1-3,7H,4H2
InChIKeyMIBUPUSXJDFZRH-UHFFFAOYSA-N
MW325.06 g/mol
LogP1.98
Rot. Bonds3

About 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine

6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine (PubChem CID 171505657) has the molecular formula C8H6F2IN3O and a molecular weight of 325.06 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
PubChem CID171505657
Molecular FormulaC8H6F2IN3O
Molecular Weight325.06 g/mol
Exact Mass324.95
IUPAC Name6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
SMILESFC(F)COc1cnc2c(I)cnn2c1
InChIInChI=1S/C8H6F2IN3O/c9-7(10)4-15-5-1-12-8-6(11)2-13-14(8)3-5/h1-3,7H,4H2
InChIKeyMIBUPUSXJDFZRH-UHFFFAOYSA-N
XLogP1.98
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.06
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,8-Dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine
CID 137796803
3-Bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
CID 67325432
5-Bromo-8-[(2,2-difluorocyclopropyl)methoxy]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 156340701
5-Bromo-8-(3,3-difluorocyclobutyl)oxy-[1,2,4]triazolo[4,3-c]pyrimidine
CID 156341004
5-Chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 167327370
6-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 171505650
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-ol
CID 84721523
5-Fluoro-4-(4-propoxypyrazol-1-yl)pyrimidin-2-amine
CID 114274068
5-fluoro-N-methyl-4-(4-propan-2-yloxypyrazol-1-yl)pyrimidin-2-amine
CID 114274084
3-Fluoropyrazolo[1,5-a]pyrimidin-6-ol
CID 130133289
2-Chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine
CID 130511223

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine (CID 171505657) is 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine is FC(F)COc1cnc2c(I)cnn2c1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
The InChIKey is MIBUPUSXJDFZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2IN3O/c9-7(10)4-15-5-1-12-8-6(11)2-13-14(8)3-5/h1-3,7H,4H2.
What are the key properties of 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine?
6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine has a molecular weight of 325.06 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171505657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).