N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide

C9H8BrF3N2O — CID 81489506

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
SMILESCc1cc(Br)cnc1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O/c1-5-2-6(10)4-14-8(5)15-7(16)3-9(11,12)13/h2,4H,3H2,1H3,(H,14,15,16)
InChIKeyPAWOLAKOBOIGGI-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.04
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide

N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide (PubChem CID 81489506) has the molecular formula C9H8BrF3N2O and a molecular weight of 297.07 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
PubChem CID81489506
Molecular FormulaC9H8BrF3N2O
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
SMILESCc1cc(Br)cnc1NC(=O)CC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O/c1-5-2-6(10)4-14-8(5)15-7(16)3-9(11,12)13/h2,4H,3H2,1H3,(H,14,15,16)
InChIKeyPAWOLAKOBOIGGI-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 83166512
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 83171017
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoropropanamide
CID 24701652
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
CID 81489498
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115739184
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide
CID 83164553

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide (CID 81489506) is N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide is Cc1cc(Br)cnc1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide?
The InChIKey is PAWOLAKOBOIGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O/c1-5-2-6(10)4-14-8(5)15-7(16)3-9(11,12)13/h2,4H,3H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide?
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide has a molecular weight of 297.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 81489506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).