2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H11BrF3N3O — CID 75379467

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(Br)cnc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11BrF3N3O/c1-6-2-7(11)3-15-9(6)16-4-8(18)17-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyQSQCAVFDYBZIEL-UHFFFAOYSA-N
MW326.12 g/mol
LogP2.24
Rot. Bonds4

About 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75379467) has the molecular formula C10H11BrF3N3O and a molecular weight of 326.12 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75379467
Molecular FormulaC10H11BrF3N3O
Molecular Weight326.12 g/mol
Exact Mass325.00
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(Br)cnc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H11BrF3N3O/c1-6-2-7(11)3-15-9(6)16-4-8(18)17-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyQSQCAVFDYBZIEL-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75379467) is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(Br)cnc1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QSQCAVFDYBZIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O/c1-6-2-7(11)3-15-9(6)16-4-8(18)17-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 326.12 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75379467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).