6-fluoro-1H-indazole-3-carbonyl chloride

C8H4ClFN2O — CID 53404488

IUPAC6-fluoro-1H-indazole-3-carbonyl chloride
SMILESO=C(Cl)c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C8H4ClFN2O/c9-8(13)7-5-2-1-4(10)3-6(5)11-12-7/h1-3H,(H,11,12)
InChIKeyBZIOBYLPKUWUBS-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.08
Rot. Bonds1

About 6-fluoro-1H-indazole-3-carbonyl chloride

6-fluoro-1H-indazole-3-carbonyl chloride (PubChem CID 53404488) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 6-fluoro-1H-indazole-3-carbonyl chloride.

Molecular Properties

Compound Name6-fluoro-1H-indazole-3-carbonyl chloride
PubChem CID53404488
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name6-fluoro-1H-indazole-3-carbonyl chloride
SMILESO=C(Cl)c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C8H4ClFN2O/c9-8(13)7-5-2-1-4(10)3-6(5)11-12-7/h1-3H,(H,11,12)
InChIKeyBZIOBYLPKUWUBS-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indazole-3-carbonyl chloride?
The IUPAC name of 6-fluoro-1H-indazole-3-carbonyl chloride (CID 53404488) is 6-fluoro-1H-indazole-3-carbonyl chloride.
What is the SMILES notation for 6-fluoro-1H-indazole-3-carbonyl chloride?
The canonical SMILES for 6-fluoro-1H-indazole-3-carbonyl chloride is O=C(Cl)c1n[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indazole-3-carbonyl chloride?
The InChIKey is BZIOBYLPKUWUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-8(13)7-5-2-1-4(10)3-6(5)11-12-7/h1-3H,(H,11,12).
What are the key properties of 6-fluoro-1H-indazole-3-carbonyl chloride?
6-fluoro-1H-indazole-3-carbonyl chloride has a molecular weight of 198.58 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indazole-3-carbonyl chloride is sourced from PubChem (CID 53404488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).