N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide

C10H8ClF3N2O2 — CID 1483733

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8ClF3N2O2/c1-5(17)2-8(18)16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2H2,1H3,(H,15,16,18)
InChIKeyORADJLLRPKIENX-UHFFFAOYSA-N
MW280.63 g/mol
LogP2.67
Rot. Bonds3

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide (PubChem CID 1483733) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide
PubChem CID1483733
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8ClF3N2O2/c1-5(17)2-8(18)16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2H2,1H3,(H,15,16,18)
InChIKeyORADJLLRPKIENX-UHFFFAOYSA-N
XLogP2.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide (CID 1483733) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide is CC(=O)CC(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide?
The InChIKey is ORADJLLRPKIENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2/c1-5(17)2-8(18)16-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2H2,1H3,(H,15,16,18).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide has a molecular weight of 280.63 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-oxobutanamide is sourced from PubChem (CID 1483733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).