2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol

C20H13F2N3O — CID 122186022

IUPAC2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2cccc(-c3cn[nH]c3)c2)cc1F
InChIInChI=1S/C20H13F2N3O/c21-18-7-14(8-19(22)20(18)26)17-11-23-5-4-16(17)13-3-1-2-12(6-13)15-9-24-25-10-15/h1-11,26H,(H,24,25)
InChIKeySKGOKFXHVKRTIW-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.79
Rot. Bonds3

About 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol

2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol (PubChem CID 122186022) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol
PubChem CID122186022
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol
SMILESOc1c(F)cc(-c2cnccc2-c2cccc(-c3cn[nH]c3)c2)cc1F
InChIInChI=1S/C20H13F2N3O/c21-18-7-14(8-19(22)20(18)26)17-11-23-5-4-16(17)13-3-1-2-12(6-13)15-9-24-25-10-15/h1-11,26H,(H,24,25)
InChIKeySKGOKFXHVKRTIW-UHFFFAOYSA-N
XLogP4.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol (CID 122186022) is 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol is Oc1c(F)cc(-c2cnccc2-c2cccc(-c3cn[nH]c3)c2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol?
The InChIKey is SKGOKFXHVKRTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-18-7-14(8-19(22)20(18)26)17-11-23-5-4-16(17)13-3-1-2-12(6-13)15-9-24-25-10-15/h1-11,26H,(H,24,25).
What are the key properties of 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol?
2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol has a molecular weight of 349.34 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-[3-(1H-pyrazol-4-yl)phenyl]-3-pyridinyl]phenol is sourced from PubChem (CID 122186022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).