1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone

C21H14ClFN2O2 — CID 153447161

IUPAC1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H14ClFN2O2/c22-18-4-2-1-3-16(18)21-17-10-5-13(20(27)12-26)11-19(17)25(24-21)15-8-6-14(23)7-9-15/h1-11,26H,12H2
InChIKeyKISISBCQTGBMGJ-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone

1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone (PubChem CID 153447161) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
PubChem CID153447161
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC Name1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H14ClFN2O2/c22-18-4-2-1-3-16(18)21-17-10-5-13(20(27)12-26)11-19(17)25(24-21)15-8-6-14(23)7-9-15/h1-11,26H,12H2
InChIKeyKISISBCQTGBMGJ-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone (CID 153447161) is 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone is O=C(CO)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
The InChIKey is KISISBCQTGBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c22-18-4-2-1-3-16(18)21-17-10-5-13(20(27)12-26)11-19(17)25(24-21)15-8-6-14(23)7-9-15/h1-11,26H,12H2.
What are the key properties of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone?
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone has a molecular weight of 380.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone is sourced from PubChem (CID 153447161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).