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

C10H10BrF3N2O — CID 79730214

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
SMILESCc1cc(NC(=O)CCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H10BrF3N2O/c1-6-4-8(15-5-7(6)11)16-9(17)2-3-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,16,17)
InChIKeyDENUGAHMXIFKJY-UHFFFAOYSA-N
MW311.10 g/mol
LogP3.43
Rot. Bonds3

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

N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide (PubChem CID 79730214) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
PubChem CID79730214
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
SMILESCc1cc(NC(=O)CCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H10BrF3N2O/c1-6-4-8(15-5-7(6)11)16-9(17)2-3-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,16,17)
InChIKeyDENUGAHMXIFKJY-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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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103738091
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79734408
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
CID 115774058
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide (CID 79730214) is N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide is Cc1cc(NC(=O)CCC(F)(F)F)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
The InChIKey is DENUGAHMXIFKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-6-4-8(15-5-7(6)11)16-9(17)2-3-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide?
N-(5-bromo-4-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-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 79730214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).