2-benzyl-5-fluoroindazole-6-carboxylic acid

C15H11FN2O2 — CID 169188080

IUPAC2-benzyl-5-fluoroindazole-6-carboxylic acid
SMILESO=C(O)c1cc2nn(Cc3ccccc3)cc2cc1F
InChIInChI=1S/C15H11FN2O2/c16-13-6-11-9-18(8-10-4-2-1-3-5-10)17-14(11)7-12(13)15(19)20/h1-7,9H,8H2,(H,19,20)
InChIKeyVUMPEXFOKAYSGA-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.92
Rot. Bonds3

About 2-benzyl-5-fluoroindazole-6-carboxylic acid

2-benzyl-5-fluoroindazole-6-carboxylic acid (PubChem CID 169188080) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-benzyl-5-fluoroindazole-6-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-5-fluoroindazole-6-carboxylic acid
PubChem CID169188080
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-benzyl-5-fluoroindazole-6-carboxylic acid
SMILESO=C(O)c1cc2nn(Cc3ccccc3)cc2cc1F
InChIInChI=1S/C15H11FN2O2/c16-13-6-11-9-18(8-10-4-2-1-3-5-10)17-14(11)7-12(13)15(19)20/h1-7,9H,8H2,(H,19,20)
InChIKeyVUMPEXFOKAYSGA-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-fluoroindazole-6-carboxylic acid?
The IUPAC name of 2-benzyl-5-fluoroindazole-6-carboxylic acid (CID 169188080) is 2-benzyl-5-fluoroindazole-6-carboxylic acid.
What is the SMILES notation for 2-benzyl-5-fluoroindazole-6-carboxylic acid?
The canonical SMILES for 2-benzyl-5-fluoroindazole-6-carboxylic acid is O=C(O)c1cc2nn(Cc3ccccc3)cc2cc1F.
What is the InChIKey of 2-benzyl-5-fluoroindazole-6-carboxylic acid?
The InChIKey is VUMPEXFOKAYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-13-6-11-9-18(8-10-4-2-1-3-5-10)17-14(11)7-12(13)15(19)20/h1-7,9H,8H2,(H,19,20).
What are the key properties of 2-benzyl-5-fluoroindazole-6-carboxylic acid?
2-benzyl-5-fluoroindazole-6-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-fluoroindazole-6-carboxylic acid is sourced from PubChem (CID 169188080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).