2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol

C15H10ClFN2O — CID 155143514

IUPAC2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol
SMILESOc1c(F)cc(-c2cnn(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C15H10ClFN2O/c16-13-6-10(7-14(17)15(13)20)11-8-18-19(9-11)12-4-2-1-3-5-12/h1-9,20H
InChIKeyUZINJICEQYGTNN-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.04
Rot. Bonds2

About 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol

2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol (PubChem CID 155143514) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol
PubChem CID155143514
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol
SMILESOc1c(F)cc(-c2cnn(-c3ccccc3)c2)cc1Cl
InChIInChI=1S/C15H10ClFN2O/c16-13-6-10(7-14(17)15(13)20)11-8-18-19(9-11)12-4-2-1-3-5-12/h1-9,20H
InChIKeyUZINJICEQYGTNN-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol?
The IUPAC name of 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol (CID 155143514) is 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol?
The canonical SMILES for 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol is Oc1c(F)cc(-c2cnn(-c3ccccc3)c2)cc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol?
The InChIKey is UZINJICEQYGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-13-6-10(7-14(17)15(13)20)11-8-18-19(9-11)12-4-2-1-3-5-12/h1-9,20H.
What are the key properties of 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol?
2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol has a molecular weight of 288.71 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-(1-phenylpyrazol-4-yl)phenol is sourced from PubChem (CID 155143514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).