2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid

C19H17FN2O4 — CID 166835900

IUPAC2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
SMILESO=C(O)c1cc(-c2nn(C3CCCCO3)c3ccc(O)cc23)ccc1F
InChIInChI=1S/C19H17FN2O4/c20-15-6-4-11(9-13(15)19(24)25)18-14-10-12(23)5-7-16(14)22(21-18)17-3-1-2-8-26-17/h4-7,9-10,17,23H,1-3,8H2,(H,24,25)
InChIKeyLAVRNGRJKUDNKZ-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.95
Rot. Bonds3

About 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid

2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid (PubChem CID 166835900) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
PubChem CID166835900
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
SMILESO=C(O)c1cc(-c2nn(C3CCCCO3)c3ccc(O)cc23)ccc1F
InChIInChI=1S/C19H17FN2O4/c20-15-6-4-11(9-13(15)19(24)25)18-14-10-12(23)5-7-16(14)22(21-18)17-3-1-2-8-26-17/h4-7,9-10,17,23H,1-3,8H2,(H,24,25)
InChIKeyLAVRNGRJKUDNKZ-UHFFFAOYSA-N
XLogP3.95
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-2-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethenyl]benzoic acid
CID 22480234
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480117
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208
1-(oxan-2-yl)-3-[6-(pyrrolidine-1-carbonyl)naphthalen-2-yl]indazole-5-carbonitrile
CID 68908077
1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-ol
CID 165127144
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
2,2-difluoro-2-[1-(oxan-2-yl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indazol-5-yl]oxyacetic acid
CID 165127799
5-(3-hydroxyphenyl)-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 137365980
3-ethynyl-1-[(2S)-oxan-2-yl]indazole-5-carboxylic acid
CID 124673269
[(2R)-4-[(2S)-2-[[5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]oxy]propoxy]butan-2-yl] methanesulfonate
CID 170698515
[(2S)-4-[(2S)-2-[[5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]-3-pyridinyl]oxy]propoxy]butan-2-yl] methanesulfonate
CID 165127520
[3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-1-[(2S)-oxan-2-yl]indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 68903817

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid?
The IUPAC name of 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid (CID 166835900) is 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid is O=C(O)c1cc(-c2nn(C3CCCCO3)c3ccc(O)cc23)ccc1F.
What is the InChIKey of 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid?
The InChIKey is LAVRNGRJKUDNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-15-6-4-11(9-13(15)19(24)25)18-14-10-12(23)5-7-16(14)22(21-18)17-3-1-2-8-26-17/h4-7,9-10,17,23H,1-3,8H2,(H,24,25).
What are the key properties of 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid?
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid has a molecular weight of 356.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid is sourced from PubChem (CID 166835900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).