2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid

C15H10FN3O3 — CID 170858296

IUPAC2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2n[nH]c3ccccc23)ccc1F
InChIInChI=1S/C15H10FN3O3/c16-11-6-5-8(7-10(11)15(21)22)17-14(20)13-9-3-1-2-4-12(9)18-19-13/h1-7H,(H,17,20)(H,18,19)(H,21,22)
InChIKeyYFILUBJNRXKKSH-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.65
Rot. Bonds3

About 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid

2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid (PubChem CID 170858296) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
PubChem CID170858296
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2n[nH]c3ccccc23)ccc1F
InChIInChI=1S/C15H10FN3O3/c16-11-6-5-8(7-10(11)15(21)22)17-14(20)13-9-3-1-2-4-12(9)18-19-13/h1-7H,(H,17,20)(H,18,19)(H,21,22)
InChIKeyYFILUBJNRXKKSH-UHFFFAOYSA-N
XLogP2.65
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481950
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-indazole-3-carboxamide
CID 25341668
2-[3-(1H-indazole-3-carbonylamino)phenyl]acetic acid
CID 170858284
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 30694461
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
CID 38588569

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid (CID 170858296) is 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)c2n[nH]c3ccccc23)ccc1F.
What is the InChIKey of 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid?
The InChIKey is YFILUBJNRXKKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-11-6-5-8(7-10(11)15(21)22)17-14(20)13-9-3-1-2-4-12(9)18-19-13/h1-7H,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid?
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid has a molecular weight of 299.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid is sourced from PubChem (CID 170858296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).