3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid

C20H12FN3O3 — CID 73297002

IUPAC3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3cccnc3)c3ccccc23)c(F)c1
InChIInChI=1S/C20H12FN3O3/c21-16-10-12(20(26)27)7-8-14(16)18-15-5-1-2-6-17(15)24(23-18)19(25)13-4-3-9-22-11-13/h1-11H,(H,26,27)
InChIKeyAHXGVYIRKMKSAV-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.62
Rot. Bonds3

About 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid

3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid (PubChem CID 73297002) has the molecular formula C20H12FN3O3 and a molecular weight of 361.33 g/mol. Its IUPAC name is 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid
PubChem CID73297002
Molecular FormulaC20H12FN3O3
Molecular Weight361.33 g/mol
Exact Mass361.09
IUPAC Name3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3cccnc3)c3ccccc23)c(F)c1
InChIInChI=1S/C20H12FN3O3/c21-16-10-12(20(26)27)7-8-14(16)18-15-5-1-2-6-17(15)24(23-18)19(25)13-4-3-9-22-11-13/h1-11H,(H,26,27)
InChIKeyAHXGVYIRKMKSAV-UHFFFAOYSA-N
XLogP3.62
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid?
The IUPAC name of 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid (CID 73297002) is 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2nn(C(=O)c3cccnc3)c3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid?
The InChIKey is AHXGVYIRKMKSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3/c21-16-10-12(20(26)27)7-8-14(16)18-15-5-1-2-6-17(15)24(23-18)19(25)13-4-3-9-22-11-13/h1-11H,(H,26,27).
What are the key properties of 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid?
3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid has a molecular weight of 361.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(pyridine-3-carbonyl)indazol-3-yl]benzoic acid is sourced from PubChem (CID 73297002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).