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

C13H12ClF2N3O — CID 121249468

IUPAC2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
SMILESFC(F)Cn1cc(Oc2ccnc(Cl)c2)c(C2CC2)n1
InChIInChI=1S/C13H12ClF2N3O/c14-11-5-9(3-4-17-11)20-10-6-19(7-12(15)16)18-13(10)8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyWFIOYHHXDAWABB-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.87
Rot. Bonds5

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

2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine (PubChem CID 121249468) has the molecular formula C13H12ClF2N3O and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
PubChem CID121249468
Molecular FormulaC13H12ClF2N3O
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
SMILESFC(F)Cn1cc(Oc2ccnc(Cl)c2)c(C2CC2)n1
InChIInChI=1S/C13H12ClF2N3O/c14-11-5-9(3-4-17-11)20-10-6-19(7-12(15)16)18-13(10)8-1-2-8/h3-6,8,12H,1-2,7H2
InChIKeyWFIOYHHXDAWABB-UHFFFAOYSA-N
XLogP3.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
CID 121249435
2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
CID 150825451
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
CID 154963843
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
CID 155765634
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
2-chloro-4-(5-chloro-2-fluoro-4-nitrophenoxy)pyridine
CID 118025233
5-[(2-chloro-4-pyridinyl)oxy]-6-cyclopropyl-2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 123641540
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine
CID 155765610
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
CID 164715787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine?
The IUPAC name of 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine (CID 121249468) is 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine?
The canonical SMILES for 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine is FC(F)Cn1cc(Oc2ccnc(Cl)c2)c(C2CC2)n1.
What is the InChIKey of 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine?
The InChIKey is WFIOYHHXDAWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O/c14-11-5-9(3-4-17-11)20-10-6-19(7-12(15)16)18-13(10)8-1-2-8/h3-6,8,12H,1-2,7H2.
What are the key properties of 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine?
2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine has a molecular weight of 299.71 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine is sourced from PubChem (CID 121249468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).