2-fluoro-6-(4-iodopyrazol-1-yl)benzamide

C10H7FIN3O — CID 79522502

IUPAC2-fluoro-6-(4-iodopyrazol-1-yl)benzamide
SMILESNC(=O)c1c(F)cccc1-n1cc(I)cn1
InChIInChI=1S/C10H7FIN3O/c11-7-2-1-3-8(9(7)10(13)16)15-5-6(12)4-14-15/h1-5H,(H2,13,16)
InChIKeyPLTBUBRNXYLHSQ-UHFFFAOYSA-N
MW331.09 g/mol
LogP1.71
Rot. Bonds2

About 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide

2-fluoro-6-(4-iodopyrazol-1-yl)benzamide (PubChem CID 79522502) has the molecular formula C10H7FIN3O and a molecular weight of 331.09 g/mol. Its IUPAC name is 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-(4-iodopyrazol-1-yl)benzamide
PubChem CID79522502
Molecular FormulaC10H7FIN3O
Molecular Weight331.09 g/mol
Exact Mass330.96
IUPAC Name2-fluoro-6-(4-iodopyrazol-1-yl)benzamide
SMILESNC(=O)c1c(F)cccc1-n1cc(I)cn1
InChIInChI=1S/C10H7FIN3O/c11-7-2-1-3-8(9(7)10(13)16)15-5-6(12)4-14-15/h1-5H,(H2,13,16)
InChIKeyPLTBUBRNXYLHSQ-UHFFFAOYSA-N
XLogP1.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 51.71
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 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide?
The IUPAC name of 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide (CID 79522502) is 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide?
The canonical SMILES for 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide is NC(=O)c1c(F)cccc1-n1cc(I)cn1.
What is the InChIKey of 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide?
The InChIKey is PLTBUBRNXYLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FIN3O/c11-7-2-1-3-8(9(7)10(13)16)15-5-6(12)4-14-15/h1-5H,(H2,13,16).
What are the key properties of 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide?
2-fluoro-6-(4-iodopyrazol-1-yl)benzamide has a molecular weight of 331.09 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-iodopyrazol-1-yl)benzamide is sourced from PubChem (CID 79522502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).