4-fluoro-3-iodoindazole-1-carboxylic acid

C8H4FIN2O2 — CID 22477740

IUPAC4-fluoro-3-iodoindazole-1-carboxylic acid
SMILESO=C(O)n1nc(I)c2c(F)cccc21
InChIInChI=1S/C8H4FIN2O2/c9-4-2-1-3-5-6(4)7(10)11-12(5)8(13)14/h1-3H,(H,13,14)
InChIKeyRVLRIXQWXWXCPX-UHFFFAOYSA-N
MW306.03 g/mol
LogP2.31
Rot. Bonds

About 4-fluoro-3-iodoindazole-1-carboxylic acid

4-fluoro-3-iodoindazole-1-carboxylic acid (PubChem CID 22477740) has the molecular formula C8H4FIN2O2 and a molecular weight of 306.03 g/mol. Its IUPAC name is 4-fluoro-3-iodoindazole-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3-iodoindazole-1-carboxylic acid
PubChem CID22477740
Molecular FormulaC8H4FIN2O2
Molecular Weight306.03 g/mol
Exact Mass305.93
IUPAC Name4-fluoro-3-iodoindazole-1-carboxylic acid
SMILESO=C(O)n1nc(I)c2c(F)cccc21
InChIInChI=1S/C8H4FIN2O2/c9-4-2-1-3-5-6(4)7(10)11-12(5)8(13)14/h1-3H,(H,13,14)
InChIKeyRVLRIXQWXWXCPX-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodoindazole-1-carboxylic acid?
The IUPAC name of 4-fluoro-3-iodoindazole-1-carboxylic acid (CID 22477740) is 4-fluoro-3-iodoindazole-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-3-iodoindazole-1-carboxylic acid?
The canonical SMILES for 4-fluoro-3-iodoindazole-1-carboxylic acid is O=C(O)n1nc(I)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-3-iodoindazole-1-carboxylic acid?
The InChIKey is RVLRIXQWXWXCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIN2O2/c9-4-2-1-3-5-6(4)7(10)11-12(5)8(13)14/h1-3H,(H,13,14).
What are the key properties of 4-fluoro-3-iodoindazole-1-carboxylic acid?
4-fluoro-3-iodoindazole-1-carboxylic acid has a molecular weight of 306.03 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodoindazole-1-carboxylic acid is sourced from PubChem (CID 22477740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).