5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine

C13H14BrF2N3O — CID 153296774

IUPAC5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine
SMILESCCc1cc(-c2ncc(Br)cc2OC(F)F)n(CC)n1
InChIInChI=1S/C13H14BrF2N3O/c1-3-9-6-10(19(4-2)18-9)12-11(20-13(15)16)5-8(14)7-17-12/h5-7,13H,3-4H2,1-2H3
InChIKeyWRTROQOVUPTONO-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.89
Rot. Bonds5

About 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine

5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine (PubChem CID 153296774) has the molecular formula C13H14BrF2N3O and a molecular weight of 346.18 g/mol. Its IUPAC name is 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine
PubChem CID153296774
Molecular FormulaC13H14BrF2N3O
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine
SMILESCCc1cc(-c2ncc(Br)cc2OC(F)F)n(CC)n1
InChIInChI=1S/C13H14BrF2N3O/c1-3-9-6-10(19(4-2)18-9)12-11(20-13(15)16)5-8(14)7-17-12/h5-7,13H,3-4H2,1-2H3
InChIKeyWRTROQOVUPTONO-UHFFFAOYSA-N
XLogP3.89
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine?
The IUPAC name of 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine (CID 153296774) is 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine?
The canonical SMILES for 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine is CCc1cc(-c2ncc(Br)cc2OC(F)F)n(CC)n1.
What is the InChIKey of 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine?
The InChIKey is WRTROQOVUPTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3O/c1-3-9-6-10(19(4-2)18-9)12-11(20-13(15)16)5-8(14)7-17-12/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine?
5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine has a molecular weight of 346.18 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-diethylpyrazol-5-yl)-3-(difluoromethoxy)pyridine is sourced from PubChem (CID 153296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).