N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide

C7H4BrF3N2O — CID 166548142

IUPACN-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide
SMILESO=C(Nc1ccnc(Br)c1F)C(F)F
InChIInChI=1S/C7H4BrF3N2O/c8-5-4(9)3(1-2-12-5)13-7(14)6(10)11/h1-2,6H,(H,12,13,14)
InChIKeyPEYOXLKRWSHHEQ-UHFFFAOYSA-N
MW269.02 g/mol
LogP2.19
Rot. Bonds2

About N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide

N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide (PubChem CID 166548142) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide
PubChem CID166548142
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC NameN-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide
SMILESO=C(Nc1ccnc(Br)c1F)C(F)F
InChIInChI=1S/C7H4BrF3N2O/c8-5-4(9)3(1-2-12-5)13-7(14)6(10)11/h1-2,6H,(H,12,13,14)
InChIKeyPEYOXLKRWSHHEQ-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-bromo-3-fluoro-4-pyridinyl)carbamate
CID 118295548
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
CID 103513843
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
CID 103515626
N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
CID 2354239
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]acetamide
CID 103513898
1-(3-bromo-2-chloro-4-pyridinyl)-3-(2-fluoro-3-methylphenyl)urea;methane
CID 167646646
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
1-(4-bromo-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892659
2-bromo-4-ethyl-3-fluoropyridine
CID 130138685

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide (CID 166548142) is N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide is O=C(Nc1ccnc(Br)c1F)C(F)F.
What is the InChIKey of N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide?
The InChIKey is PEYOXLKRWSHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-5-4(9)3(1-2-12-5)13-7(14)6(10)11/h1-2,6H,(H,12,13,14).
What are the key properties of N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide?
N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide has a molecular weight of 269.02 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-fluoro-4-pyridinyl)-2,2-difluoroacetamide is sourced from PubChem (CID 166548142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).