N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H10BrF3N2O2 — CID 103738091

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(NC(=O)COCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H10BrF3N2O2/c1-6-2-8(15-3-7(6)11)16-9(17)4-18-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16,17)
InChIKeyBKLSEIYJMHXTIM-UHFFFAOYSA-N
MW327.10 g/mol
LogP2.67
Rot. Bonds4

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

N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103738091) has the molecular formula C10H10BrF3N2O2 and a molecular weight of 327.10 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103738091
Molecular FormulaC10H10BrF3N2O2
Molecular Weight327.10 g/mol
Exact Mass325.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(NC(=O)COCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H10BrF3N2O2/c1-6-2-8(15-3-7(6)11)16-9(17)4-18-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16,17)
InChIKeyBKLSEIYJMHXTIM-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79734408
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997957
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
1-(5-bromo-4-methyl-2-pyridinyl)-3-(2-chloroethyl)urea
CID 121473135
N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103819467
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
3-bromo-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103206033

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103738091) is N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(NC(=O)COCC(F)(F)F)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BKLSEIYJMHXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2/c1-6-2-8(15-3-7(6)11)16-9(17)4-18-5-10(12,13)14/h2-3H,4-5H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 327.10 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103738091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).