3-fluoro-4-(1H-indazol-3-yl)benzoic acid

C14H9FN2O2 — CID 118285872

IUPAC3-fluoro-4-(1H-indazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C14H9FN2O2/c15-11-7-8(14(18)19)5-6-9(11)13-10-3-1-2-4-12(10)16-17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyBBLZDZNDGMKOFH-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.07
Rot. Bonds2

About 3-fluoro-4-(1H-indazol-3-yl)benzoic acid

3-fluoro-4-(1H-indazol-3-yl)benzoic acid (PubChem CID 118285872) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-fluoro-4-(1H-indazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(1H-indazol-3-yl)benzoic acid
PubChem CID118285872
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name3-fluoro-4-(1H-indazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C14H9FN2O2/c15-11-7-8(14(18)19)5-6-9(11)13-10-3-1-2-4-12(10)16-17-13/h1-7H,(H,16,17)(H,18,19)
InChIKeyBBLZDZNDGMKOFH-UHFFFAOYSA-N
XLogP3.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1H-indazol-3-yl)benzoic acid?
The IUPAC name of 3-fluoro-4-(1H-indazol-3-yl)benzoic acid (CID 118285872) is 3-fluoro-4-(1H-indazol-3-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(1H-indazol-3-yl)benzoic acid?
The canonical SMILES for 3-fluoro-4-(1H-indazol-3-yl)benzoic acid is O=C(O)c1ccc(-c2n[nH]c3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1H-indazol-3-yl)benzoic acid?
The InChIKey is BBLZDZNDGMKOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-7-8(14(18)19)5-6-9(11)13-10-3-1-2-4-12(10)16-17-13/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-4-(1H-indazol-3-yl)benzoic acid?
3-fluoro-4-(1H-indazol-3-yl)benzoic acid has a molecular weight of 256.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1H-indazol-3-yl)benzoic acid is sourced from PubChem (CID 118285872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).