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

C10H11BrF2N2O2 — CID 103208571

IUPACN-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrF2N2O2/c11-7-1-2-9(14-5-7)15-10(16)3-4-17-6-8(12)13/h1-2,5,8H,3-4,6H2,(H,14,15,16)
InChIKeyNJMQMSJCINUABH-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.45
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208571) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208571
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrF2N2O2/c11-7-1-2-9(14-5-7)15-10(16)3-4-17-6-8(12)13/h1-2,5,8H,3-4,6H2,(H,14,15,16)
InChIKeyNJMQMSJCINUABH-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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Related Compounds

4-((5-Bromo-2-pyridinyl)amino)-4-oxobutanoic acid
CID 647833
2-Acetamido-5-bromopyridine
CID 293097
2-(azepan-1-yl)-N-(5-bromopyridin-2-yl)acetamide
CID 6467566
2-Acetylamino-2-(5-bromo-pyridin-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester
CID 540880
N-(5-bromo-2-pyridinyl)-2-(4-morpholinyl)acetamide
CID 1237386
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
N-(5-bromo-2-pyridinyl)heptanamide
CID 2225203
N-(5-bromopyridin-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6467618
N-(5-bromo-2-pyridinyl)butanamide
CID 876084

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208571) is N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is NJMQMSJCINUABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c11-7-1-2-9(14-5-7)15-10(16)3-4-17-6-8(12)13/h1-2,5,8H,3-4,6H2,(H,14,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
N-(5-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-(5-bromo-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).