N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide

C9H7F3N2O2 — CID 175708003

IUPACN-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide
SMILESCc1ncc(NC(=O)C=O)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c1-5-7(9(10,11)12)2-6(3-13-5)14-8(16)4-15/h2-4H,1H3,(H,14,16)
InChIKeyXTXDTWFZUYEWID-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.55
Rot. Bonds2

About N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide

N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide (PubChem CID 175708003) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide
PubChem CID175708003
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC NameN-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide
SMILESCc1ncc(NC(=O)C=O)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c1-5-7(9(10,11)12)2-6(3-13-5)14-8(16)4-15/h2-4H,1H3,(H,14,16)
InChIKeyXTXDTWFZUYEWID-UHFFFAOYSA-N
XLogP1.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide?
The IUPAC name of N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide (CID 175708003) is N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide.
What is the SMILES notation for N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide?
The canonical SMILES for N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide is Cc1ncc(NC(=O)C=O)cc1C(F)(F)F.
What is the InChIKey of N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide?
The InChIKey is XTXDTWFZUYEWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-5-7(9(10,11)12)2-6(3-13-5)14-8(16)4-15/h2-4H,1H3,(H,14,16).
What are the key properties of N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide?
N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide has a molecular weight of 232.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-oxoacetamide is sourced from PubChem (CID 175708003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).