2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide

C9H9BrF3N3O — CID 79811031

IUPAC2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ncccc1Br)C(F)(F)F
InChIInChI=1S/C9H9BrF3N3O/c1-8(14,9(11,12)13)7(17)16-6-5(10)3-2-4-15-6/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyHPSOQPDUNXMLJE-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.06
Rot. Bonds2

About 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811031) has the molecular formula C9H9BrF3N3O and a molecular weight of 312.09 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811031
Molecular FormulaC9H9BrF3N3O
Molecular Weight312.09 g/mol
Exact Mass310.99
IUPAC Name2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ncccc1Br)C(F)(F)F
InChIInChI=1S/C9H9BrF3N3O/c1-8(14,9(11,12)13)7(17)16-6-5(10)3-2-4-15-6/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeyHPSOQPDUNXMLJE-UHFFFAOYSA-N
XLogP2.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79811031) is 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1ncccc1Br)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is HPSOQPDUNXMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O/c1-8(14,9(11,12)13)7(17)16-6-5(10)3-2-4-15-6/h2-4H,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 312.09 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-pyridinyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).