3,5-difluoro-4-indazol-1-ylbenzoic acid

C14H8F2N2O2 — CID 63075994

IUPAC3,5-difluoro-4-indazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(F)c(-n2ncc3ccccc32)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-5-9(14(19)20)6-11(16)13(10)18-12-4-2-1-3-8(12)7-17-18/h1-7H,(H,19,20)
InChIKeyIQTBDHJRLOKFSN-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.00
Rot. Bonds2

About 3,5-difluoro-4-indazol-1-ylbenzoic acid

3,5-difluoro-4-indazol-1-ylbenzoic acid (PubChem CID 63075994) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3,5-difluoro-4-indazol-1-ylbenzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-indazol-1-ylbenzoic acid
PubChem CID63075994
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name3,5-difluoro-4-indazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(F)c(-n2ncc3ccccc32)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-5-9(14(19)20)6-11(16)13(10)18-12-4-2-1-3-8(12)7-17-18/h1-7H,(H,19,20)
InChIKeyIQTBDHJRLOKFSN-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-indazol-1-ylbenzoic acid?
The IUPAC name of 3,5-difluoro-4-indazol-1-ylbenzoic acid (CID 63075994) is 3,5-difluoro-4-indazol-1-ylbenzoic acid.
What is the SMILES notation for 3,5-difluoro-4-indazol-1-ylbenzoic acid?
The canonical SMILES for 3,5-difluoro-4-indazol-1-ylbenzoic acid is O=C(O)c1cc(F)c(-n2ncc3ccccc32)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-indazol-1-ylbenzoic acid?
The InChIKey is IQTBDHJRLOKFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-10-5-9(14(19)20)6-11(16)13(10)18-12-4-2-1-3-8(12)7-17-18/h1-7H,(H,19,20).
What are the key properties of 3,5-difluoro-4-indazol-1-ylbenzoic acid?
3,5-difluoro-4-indazol-1-ylbenzoic acid has a molecular weight of 274.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-indazol-1-ylbenzoic acid is sourced from PubChem (CID 63075994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).