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

C10H10ClF3N2O — CID 3524603

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O/c1-5(9(17)15-2)8-7(11)3-6(4-16-8)10(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyKWLSDFLDIVPWKI-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.60
Rot. Bonds2

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide (PubChem CID 3524603) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide
PubChem CID3524603
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O/c1-5(9(17)15-2)8-7(11)3-6(4-16-8)10(12,13)14/h3-5H,1-2H3,(H,15,17)
InChIKeyKWLSDFLDIVPWKI-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.60
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]-N-methylpropanamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide (CID 3524603) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide is CNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide?
The InChIKey is KWLSDFLDIVPWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-5(9(17)15-2)8-7(11)3-6(4-16-8)10(12,13)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methylpropanamide has a molecular weight of 266.65 g/mol, XLogP of 2.60, 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]-N-methylpropanamide is sourced from PubChem (CID 3524603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).