1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole

C19H12ClFN2O — CID 154457190

IUPAC1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole
SMILESFc1ccccc1Oc1ccc2cnn(-c3ccccc3Cl)c2c1
InChIInChI=1S/C19H12ClFN2O/c20-15-5-1-3-7-17(15)23-18-11-14(10-9-13(18)12-22-23)24-19-8-4-2-6-16(19)21/h1-12H
InChIKeySZAFMEGWABXYEW-UHFFFAOYSA-N
MW338.77 g/mol
LogP5.61
Rot. Bonds3

About 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole

1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole (PubChem CID 154457190) has the molecular formula C19H12ClFN2O and a molecular weight of 338.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole
PubChem CID154457190
Molecular FormulaC19H12ClFN2O
Molecular Weight338.77 g/mol
Exact Mass338.06
IUPAC Name1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole
SMILESFc1ccccc1Oc1ccc2cnn(-c3ccccc3Cl)c2c1
InChIInChI=1S/C19H12ClFN2O/c20-15-5-1-3-7-17(15)23-18-11-14(10-9-13(18)12-22-23)24-19-8-4-2-6-16(19)21/h1-12H
InChIKeySZAFMEGWABXYEW-UHFFFAOYSA-N
XLogP5.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.77
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole?
The IUPAC name of 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole (CID 154457190) is 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole.
What is the SMILES notation for 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole?
The canonical SMILES for 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole is Fc1ccccc1Oc1ccc2cnn(-c3ccccc3Cl)c2c1.
What is the InChIKey of 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole?
The InChIKey is SZAFMEGWABXYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O/c20-15-5-1-3-7-17(15)23-18-11-14(10-9-13(18)12-22-23)24-19-8-4-2-6-16(19)21/h1-12H.
What are the key properties of 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole?
1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole has a molecular weight of 338.77 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-(2-fluorophenoxy)indazole is sourced from PubChem (CID 154457190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).