4-fluoro-2,3-dimethylindazole-5-carboxylic acid

C10H9FN2O2 — CID 117110305

IUPAC4-fluoro-2,3-dimethylindazole-5-carboxylic acid
SMILESCc1c2c(F)c(C(=O)O)ccc2nn1C
InChIInChI=1S/C10H9FN2O2/c1-5-8-7(12-13(5)2)4-3-6(9(8)11)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeySZQYILYPPFOVEM-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.72
Rot. Bonds1

About 4-fluoro-2,3-dimethylindazole-5-carboxylic acid

4-fluoro-2,3-dimethylindazole-5-carboxylic acid (PubChem CID 117110305) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-fluoro-2,3-dimethylindazole-5-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2,3-dimethylindazole-5-carboxylic acid
PubChem CID117110305
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name4-fluoro-2,3-dimethylindazole-5-carboxylic acid
SMILESCc1c2c(F)c(C(=O)O)ccc2nn1C
InChIInChI=1S/C10H9FN2O2/c1-5-8-7(12-13(5)2)4-3-6(9(8)11)10(14)15/h3-4H,1-2H3,(H,14,15)
InChIKeySZQYILYPPFOVEM-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trimethylindazole-7-carboxylic acid
CID 117110311
2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 107957677
2,3-difluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid
CID 79835108
7-fluoro-2-methylindazole-6-carboxylic acid
CID 105447800
2-fluoro-3,4-dimethylbenzoic acid
CID 58240541
2,3-dimethylindazole-4-carbaldehyde
CID 84717514
7-methoxy-2,3-dimethylindazole-6-carboxylic acid
CID 117110319
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
2-chloro-4-fluoro-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
CID 67554406
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-difluorobenzoic acid
CID 106042688
4-methoxy-2,3-dimethylindazole-5-carbaldehyde
CID 117110344
4-(diethylamino)-2,3-difluorobenzoic acid
CID 107935565

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dimethylindazole-5-carboxylic acid?
The IUPAC name of 4-fluoro-2,3-dimethylindazole-5-carboxylic acid (CID 117110305) is 4-fluoro-2,3-dimethylindazole-5-carboxylic acid.
What is the SMILES notation for 4-fluoro-2,3-dimethylindazole-5-carboxylic acid?
The canonical SMILES for 4-fluoro-2,3-dimethylindazole-5-carboxylic acid is Cc1c2c(F)c(C(=O)O)ccc2nn1C.
What is the InChIKey of 4-fluoro-2,3-dimethylindazole-5-carboxylic acid?
The InChIKey is SZQYILYPPFOVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-5-8-7(12-13(5)2)4-3-6(9(8)11)10(14)15/h3-4H,1-2H3,(H,14,15).
What are the key properties of 4-fluoro-2,3-dimethylindazole-5-carboxylic acid?
4-fluoro-2,3-dimethylindazole-5-carboxylic acid has a molecular weight of 208.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dimethylindazole-5-carboxylic acid is sourced from PubChem (CID 117110305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).