N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C12H13F3N2O2 — CID 50986336

IUPACN-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1C=O
InChIInChI=1S/C12H13F3N2O2/c1-11(2,3)10(19)17-9-7(6-18)4-8(5-16-9)12(13,14)15/h4-6H,1-3H3,(H,16,17,19)
InChIKeyAJHPFYORBMFGTP-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.90
Rot. Bonds2

About N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 50986336) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID50986336
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1C=O
InChIInChI=1S/C12H13F3N2O2/c1-11(2,3)10(19)17-9-7(6-18)4-8(5-16-9)12(13,14)15/h4-6H,1-3H3,(H,16,17,19)
InChIKeyAJHPFYORBMFGTP-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 50986336) is N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1C=O.
What is the InChIKey of N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is AJHPFYORBMFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-11(2,3)10(19)17-9-7(6-18)4-8(5-16-9)12(13,14)15/h4-6H,1-3H3,(H,16,17,19).
What are the key properties of N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 274.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 50986336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).