1-(4-fluorophenyl)-4-methoxyindazole

C14H11FN2O — CID 68921592

IUPAC1-(4-fluorophenyl)-4-methoxyindazole
SMILESCOc1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O/c1-18-14-4-2-3-13-12(14)9-16-17(13)11-7-5-10(15)6-8-11/h2-9H,1H3
InChIKeyQKEXDXFAICXMKE-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-fluorophenyl)-4-methoxyindazole

1-(4-fluorophenyl)-4-methoxyindazole (PubChem CID 68921592) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxyindazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxyindazole
PubChem CID68921592
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name1-(4-fluorophenyl)-4-methoxyindazole
SMILESCOc1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C14H11FN2O/c1-18-14-4-2-3-13-12(14)9-16-17(13)11-7-5-10(15)6-8-11/h2-9H,1H3
InChIKeyQKEXDXFAICXMKE-UHFFFAOYSA-N
XLogP3.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxyindazole?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxyindazole (CID 68921592) is 1-(4-fluorophenyl)-4-methoxyindazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxyindazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxyindazole is COc1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxyindazole?
The InChIKey is QKEXDXFAICXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-18-14-4-2-3-13-12(14)9-16-17(13)11-7-5-10(15)6-8-11/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methoxyindazole?
1-(4-fluorophenyl)-4-methoxyindazole has a molecular weight of 242.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxyindazole is sourced from PubChem (CID 68921592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).