N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H10ClF3N2O2 — CID 114051099

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccnc(Cl)c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c1-6-2-3-15-9(11)8(6)16-7(17)4-18-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyTVJLMKOESFBWAY-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.56
Rot. Bonds4

About N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 114051099) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID114051099
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccnc(Cl)c1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c1-6-2-3-15-9(11)8(6)16-7(17)4-18-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyTVJLMKOESFBWAY-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 114051099) is N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1ccnc(Cl)c1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is TVJLMKOESFBWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-6-2-3-15-9(11)8(6)16-7(17)4-18-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 282.65 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 114051099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).