2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

C13H14ClF2N3O — CID 153296572

IUPAC2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCc1cc(-c2cnc(Cl)cc2OC(F)F)n(CC)n1
InChIInChI=1S/C13H14ClF2N3O/c1-3-8-5-10(19(4-2)18-8)9-7-17-12(14)6-11(9)20-13(15)16/h5-7,13H,3-4H2,1-2H3
InChIKeyAAVGHYRAVYQLEO-UHFFFAOYSA-N
MW301.72 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (PubChem CID 153296572) has the molecular formula C13H14ClF2N3O and a molecular weight of 301.72 g/mol. Its IUPAC name is 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
PubChem CID153296572
Molecular FormulaC13H14ClF2N3O
Molecular Weight301.72 g/mol
Exact Mass301.08
IUPAC Name2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCc1cc(-c2cnc(Cl)cc2OC(F)F)n(CC)n1
InChIInChI=1S/C13H14ClF2N3O/c1-3-8-5-10(19(4-2)18-8)9-7-17-12(14)6-11(9)20-13(15)16/h5-7,13H,3-4H2,1-2H3
InChIKeyAAVGHYRAVYQLEO-UHFFFAOYSA-N
XLogP3.78
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The IUPAC name of 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (CID 153296572) is 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is CCc1cc(-c2cnc(Cl)cc2OC(F)F)n(CC)n1.
What is the InChIKey of 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The InChIKey is AAVGHYRAVYQLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N3O/c1-3-8-5-10(19(4-2)18-8)9-7-17-12(14)6-11(9)20-13(15)16/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine has a molecular weight of 301.72 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is sourced from PubChem (CID 153296572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).