2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide

C8H6ClF3N2O — CID 3756200

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNC(=O)Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O/c9-5-1-4(8(10,11)12)3-14-6(5)2-7(13)15/h1,3H,2H2,(H2,13,15)
InChIKeyKUYHPTSOTBSQCO-UHFFFAOYSA-N
MW238.60 g/mol
LogP1.78
Rot. Bonds2

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 3756200) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID3756200
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNC(=O)Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O/c9-5-1-4(8(10,11)12)3-14-6(5)2-7(13)15/h1,3H,2H2,(H2,13,15)
InChIKeyKUYHPTSOTBSQCO-UHFFFAOYSA-N
XLogP1.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 3756200) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is NC(=O)Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is KUYHPTSOTBSQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c9-5-1-4(8(10,11)12)3-14-6(5)2-7(13)15/h1,3H,2H2,(H2,13,15).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 238.60 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 3756200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).