2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine

C16H16ClF4N3O2 — CID 167425726

IUPAC2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
SMILESFC(F)OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C16H16ClF4N3O2/c17-14-5-13(25-10-1-3-11(4-2-10)26-16(20)21)12(7-22-14)9-6-23-24(8-9)15(18)19/h5-8,10-11,15-16H,1-4H2
InChIKeyVZASGJWVBLRSGH-UHFFFAOYSA-N
MW393.77 g/mol
LogP4.92
Rot. Bonds6

About 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine

2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine (PubChem CID 167425726) has the molecular formula C16H16ClF4N3O2 and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
PubChem CID167425726
Molecular FormulaC16H16ClF4N3O2
Molecular Weight393.77 g/mol
Exact Mass393.09
IUPAC Name2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
SMILESFC(F)OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1
InChIInChI=1S/C16H16ClF4N3O2/c17-14-5-13(25-10-1-3-11(4-2-10)26-16(20)21)12(7-22-14)9-6-23-24(8-9)15(18)19/h5-8,10-11,15-16H,1-4H2
InChIKeyVZASGJWVBLRSGH-UHFFFAOYSA-N
XLogP4.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine (CID 167425726) is 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine is FC(F)OC1CCC(Oc2cc(Cl)ncc2-c2cnn(C(F)F)c2)CC1.
What is the InChIKey of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
The InChIKey is VZASGJWVBLRSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF4N3O2/c17-14-5-13(25-10-1-3-11(4-2-10)26-16(20)21)12(7-22-14)9-6-23-24(8-9)15(18)19/h5-8,10-11,15-16H,1-4H2.
What are the key properties of 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine?
2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine has a molecular weight of 393.77 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 167425726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).