2,4-difluoro-6-(1H-pyrazol-5-yl)phenol

C9H6F2N2O — CID 2804885

IUPAC2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
SMILESOc1c(F)cc(F)cc1-c1ccn[nH]1
InChIInChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13)
InChIKeyJUXBDWQXPZSIML-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.06
Rot. Bonds1

About 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol

2,4-difluoro-6-(1H-pyrazol-5-yl)phenol (PubChem CID 2804885) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
PubChem CID2804885
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
SMILESOc1c(F)cc(F)cc1-c1ccn[nH]1
InChIInChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13)
InChIKeyJUXBDWQXPZSIML-UHFFFAOYSA-N
XLogP2.06
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol?
The IUPAC name of 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol (CID 2804885) is 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol?
The canonical SMILES for 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol is Oc1c(F)cc(F)cc1-c1ccn[nH]1.
What is the InChIKey of 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol?
The InChIKey is JUXBDWQXPZSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13).
What are the key properties of 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol?
2,4-difluoro-6-(1H-pyrazol-5-yl)phenol has a molecular weight of 196.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 2804885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).