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

C8H6ClF3N2O — CID 2800641

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O/c1-4(15)14-7-6(9)2-5(3-13-7)8(10,11)12/h2-3H,1H3,(H,13,14,15)
InChIKeyYAZOMBZNOOXEMG-UHFFFAOYSA-N
MW238.60 g/mol
LogP2.71
Rot. Bonds1

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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 2800641) has the molecular formula C8H6ClF3N2O and a molecular weight of 238.60 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID2800641
Molecular FormulaC8H6ClF3N2O
Molecular Weight238.60 g/mol
Exact Mass238.01
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O/c1-4(15)14-7-6(9)2-5(3-13-7)8(10,11)12/h2-3H,1H3,(H,13,14,15)
InChIKeyYAZOMBZNOOXEMG-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.60
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl] acetate
CID 3365466
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 171985825
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanamide
CID 4188467
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(4-fluoroanilino)urea
CID 110208558
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3462491

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 2800641) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is CC(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is YAZOMBZNOOXEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O/c1-4(15)14-7-6(9)2-5(3-13-7)8(10,11)12/h2-3H,1H3,(H,13,14,15).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 238.60 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 2800641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).