N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide

C9H5ClF3N3O — CID 5202123

IUPACN-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2cc(Cl)ccc12)C(F)(F)F
InChIInChI=1S/C9H5ClF3N3O/c10-4-1-2-5-6(3-4)15-16-7(5)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17)
InChIKeyUEXIIADMDJKGQI-UHFFFAOYSA-N
MW263.61 g/mol
LogP2.72
Rot. Bonds1

About N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide

N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 5202123) has the molecular formula C9H5ClF3N3O and a molecular weight of 263.61 g/mol. Its IUPAC name is N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID5202123
Molecular FormulaC9H5ClF3N3O
Molecular Weight263.61 g/mol
Exact Mass263.01
IUPAC NameN-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2cc(Cl)ccc12)C(F)(F)F
InChIInChI=1S/C9H5ClF3N3O/c10-4-1-2-5-6(3-4)15-16-7(5)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17)
InChIKeyUEXIIADMDJKGQI-UHFFFAOYSA-N
XLogP2.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide (CID 5202123) is N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide is O=C(Nc1n[nH]c2cc(Cl)ccc12)C(F)(F)F.
What is the InChIKey of N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is UEXIIADMDJKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O/c10-4-1-2-5-6(3-4)15-16-7(5)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17).
What are the key properties of N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 263.61 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5202123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).