2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine

C16H12ClF2N3O — CID 162781475

IUPAC2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine
SMILESFC(F)Cn1cc(Oc2ccnc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H12ClF2N3O/c17-14-8-12(6-7-20-14)23-13-9-22(10-15(18)19)21-16(13)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyKZWFCVZYLBYXOO-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.66
Rot. Bonds5

About 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine

2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine (PubChem CID 162781475) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine
PubChem CID162781475
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine
SMILESFC(F)Cn1cc(Oc2ccnc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C16H12ClF2N3O/c17-14-8-12(6-7-20-14)23-13-9-22(10-15(18)19)21-16(13)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyKZWFCVZYLBYXOO-UHFFFAOYSA-N
XLogP4.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.66
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-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine?
The IUPAC name of 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine (CID 162781475) is 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine?
The canonical SMILES for 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine is FC(F)Cn1cc(Oc2ccnc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine?
The InChIKey is KZWFCVZYLBYXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c17-14-8-12(6-7-20-14)23-13-9-22(10-15(18)19)21-16(13)11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine?
2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine has a molecular weight of 335.74 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]oxypyridine is sourced from PubChem (CID 162781475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).