2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide

C13H9ClF3N3O — CID 3802706

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide
SMILESNC(=O)C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3N3O/c14-8-5-7(13(15,16)17)6-20-11(8)10(12(18)21)9-3-1-2-4-19-9/h1-6,10H,(H2,18,21)
InChIKeyZRRREUQZVOLXIC-UHFFFAOYSA-N
MW315.68 g/mol
LogP2.77
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide (PubChem CID 3802706) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide
PubChem CID3802706
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide
SMILESNC(=O)C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3N3O/c14-8-5-7(13(15,16)17)6-20-11(8)10(12(18)21)9-3-1-2-4-19-9/h1-6,10H,(H2,18,21)
InChIKeyZRRREUQZVOLXIC-UHFFFAOYSA-N
XLogP2.77
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide (CID 3802706) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide is NC(=O)C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide?
The InChIKey is ZRRREUQZVOLXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-8-5-7(13(15,16)17)6-20-11(8)10(12(18)21)9-3-1-2-4-19-9/h1-6,10H,(H2,18,21).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide has a molecular weight of 315.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 3802706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).