2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide

C10H7F3IN3O — CID 139336473

IUPAC2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide
SMILESCn1ncc2c(I)c(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C10H7F3IN3O/c1-17-7-3-2-6(8(14)5(7)4-15-17)16-9(18)10(11,12)13/h2-4H,1H3,(H,16,18)
InChIKeyOHMNJPHZEXRIGY-UHFFFAOYSA-N
MW369.08 g/mol
LogP2.68
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide

2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide (PubChem CID 139336473) has the molecular formula C10H7F3IN3O and a molecular weight of 369.08 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide
PubChem CID139336473
Molecular FormulaC10H7F3IN3O
Molecular Weight369.08 g/mol
Exact Mass368.96
IUPAC Name2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide
SMILESCn1ncc2c(I)c(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C10H7F3IN3O/c1-17-7-3-2-6(8(14)5(7)4-15-17)16-9(18)10(11,12)13/h2-4H,1H3,(H,16,18)
InChIKeyOHMNJPHZEXRIGY-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 52.68
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 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide (CID 139336473) is 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide is Cn1ncc2c(I)c(NC(=O)C(F)(F)F)ccc21.
What is the InChIKey of 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide?
The InChIKey is OHMNJPHZEXRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3IN3O/c1-17-7-3-2-6(8(14)5(7)4-15-17)16-9(18)10(11,12)13/h2-4H,1H3,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide?
2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide has a molecular weight of 369.08 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-iodo-1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 139336473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).