2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C13H9F4N3O — CID 166065262

IUPAC2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNC(=O)C(c1cc(C(F)(F)F)ccn1)c1cccnc1F
InChIInChI=1S/C13H9F4N3O/c14-11-8(2-1-4-20-11)10(12(18)21)9-6-7(3-5-19-9)13(15,16)17/h1-6,10H,(H2,18,21)
InChIKeyIURZYYWMOKQGRN-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.25
Rot. Bonds3

About 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 166065262) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID166065262
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC Name2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNC(=O)C(c1cc(C(F)(F)F)ccn1)c1cccnc1F
InChIInChI=1S/C13H9F4N3O/c14-11-8(2-1-4-20-11)10(12(18)21)9-6-7(3-5-19-9)13(15,16)17/h1-6,10H,(H2,18,21)
InChIKeyIURZYYWMOKQGRN-UHFFFAOYSA-N
XLogP2.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.25
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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Related Compounds

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CID 3114
Mono-N-dealkyldisopyramide
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CID 65967
Disopyramide, (R)-
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Disopyramide, (S)-
CID 156295
2-Pyridineacetamide, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-
CID 3025060
2-phenyl-N-pyridin-4-ylbutanamide
CID 427060
2-(pyridin-4-yl)-1-(2,2,2-trifluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585103
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 42639933
(4R,5R)-5-amino-1-[2-(pyridin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204466
2-[3,5-bis(trifluoromethyl)-2-pyridinyl]-N-(4-fluorophenyl)-N-[3-(5-pyrrolidin-3-yl-2-pyridinyl)prop-2-ynyl]acetamide
CID 168273572

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 166065262) is 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide is NC(=O)C(c1cc(C(F)(F)F)ccn1)c1cccnc1F.
What is the InChIKey of 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is IURZYYWMOKQGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-11-8(2-1-4-20-11)10(12(18)21)9-6-7(3-5-19-9)13(15,16)17/h1-6,10H,(H2,18,21).
What are the key properties of 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 299.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-pyridinyl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166065262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).