N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide

C10H10BrF3N2O — CID 79048808

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
SMILESCc1nc(NC(=O)CCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3N2O/c1-6-7(11)2-3-8(15-6)16-9(17)4-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16,17)
InChIKeyCGZNSWUEXKCUBS-UHFFFAOYSA-N
MW311.10 g/mol
LogP3.43
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide

N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide (PubChem CID 79048808) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
PubChem CID79048808
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
SMILESCc1nc(NC(=O)CCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3N2O/c1-6-7(11)2-3-8(15-6)16-9(17)4-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16,17)
InChIKeyCGZNSWUEXKCUBS-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide (CID 79048808) is N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide is Cc1nc(NC(=O)CCC(F)(F)F)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
The InChIKey is CGZNSWUEXKCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-6-7(11)2-3-8(15-6)16-9(17)4-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide has a molecular weight of 311.10 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 79048808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).