N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide

C10H11BrF2N2O2 — CID 103208572

IUPACN-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1ncccc1Br
InChIInChI=1S/C10H11BrF2N2O2/c11-7-2-1-4-14-10(7)15-9(16)3-5-17-6-8(12)13/h1-2,4,8H,3,5-6H2,(H,14,15,16)
InChIKeyVEIJXPIDNWTEDY-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.45
Rot. Bonds6

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

N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208572) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208572
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC NameN-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1ncccc1Br
InChIInChI=1S/C10H11BrF2N2O2/c11-7-2-1-4-14-10(7)15-9(16)3-5-17-6-8(12)13/h1-2,4,8H,3,5-6H2,(H,14,15,16)
InChIKeyVEIJXPIDNWTEDY-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.45
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-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208572) is N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is VEIJXPIDNWTEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c11-7-2-1-4-14-10(7)15-9(16)3-5-17-6-8(12)13/h1-2,4,8H,3,5-6H2,(H,14,15,16).
What are the key properties of N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 309.11 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).