N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide

C11H13BrF2N2O2 — CID 103208574

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCc1cc(NC(=O)CCOCC(F)F)ncc1Br
InChIInChI=1S/C11H13BrF2N2O2/c1-7-4-10(15-5-8(7)12)16-11(17)2-3-18-6-9(13)14/h4-5,9H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyPYCQVBHXWRSCTK-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.76
Rot. Bonds6

About N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208574) has the molecular formula C11H13BrF2N2O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208574
Molecular FormulaC11H13BrF2N2O2
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCc1cc(NC(=O)CCOCC(F)F)ncc1Br
InChIInChI=1S/C11H13BrF2N2O2/c1-7-4-10(15-5-8(7)12)16-11(17)2-3-18-6-9(13)14/h4-5,9H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyPYCQVBHXWRSCTK-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208574) is N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is Cc1cc(NC(=O)CCOCC(F)F)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is PYCQVBHXWRSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2/c1-7-4-10(15-5-8(7)12)16-11(17)2-3-18-6-9(13)14/h4-5,9H,2-3,6H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 323.14 g/mol, XLogP of 2.76, 6 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)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).