2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide

C10H11ClF3N3O — CID 114050956

IUPAC2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1cnc(Cl)c(NC(=O)C(C)(N)C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3N3O/c1-5-3-6(7(11)16-4-5)17-8(18)9(2,15)10(12,13)14/h3-4H,15H2,1-2H3,(H,17,18)
InChIKeyYFOBLUVCQNRTLG-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.26
Rot. Bonds2

About 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 114050956) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID114050956
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1cnc(Cl)c(NC(=O)C(C)(N)C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3N3O/c1-5-3-6(7(11)16-4-5)17-8(18)9(2,15)10(12,13)14/h3-4H,15H2,1-2H3,(H,17,18)
InChIKeyYFOBLUVCQNRTLG-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide (CID 114050956) is 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide is Cc1cnc(Cl)c(NC(=O)C(C)(N)C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is YFOBLUVCQNRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-5-3-6(7(11)16-4-5)17-8(18)9(2,15)10(12,13)14/h3-4H,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 281.67 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 114050956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).