6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid

C16H12FN3O3 — CID 22261055

IUPAC6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid
SMILESCC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O
InChIInChI=1S/C16H12FN3O3/c1-8(21)18-13-7-14-11(6-12(13)16(22)23)15(20-19-14)9-3-2-4-10(17)5-9/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyZZNFZSWDRPOWLF-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.03
Rot. Bonds3

About 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid

6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid (PubChem CID 22261055) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid
PubChem CID22261055
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid
SMILESCC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O
InChIInChI=1S/C16H12FN3O3/c1-8(21)18-13-7-14-11(6-12(13)16(22)23)15(20-19-14)9-3-2-4-10(17)5-9/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyZZNFZSWDRPOWLF-UHFFFAOYSA-N
XLogP3.03
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid (CID 22261055) is 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid is CC(=O)Nc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)O.
What is the InChIKey of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid?
The InChIKey is ZZNFZSWDRPOWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-8(21)18-13-7-14-11(6-12(13)16(22)23)15(20-19-14)9-3-2-4-10(17)5-9/h2-7H,1H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid?
6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid has a molecular weight of 313.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-(3-fluorophenyl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22261055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).