3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide

C8H6BrFN2O — CID 169482979

IUPAC3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(Br)ncc1F
InChIInChI=1S/C8H6BrFN2O/c9-7-3-5(1-2-8(11)13)6(10)4-12-7/h1-4H,(H2,11,13)
InChIKeyTWHMZYAOSAARDM-UHFFFAOYSA-N
MW245.05 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide

3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide (PubChem CID 169482979) has the molecular formula C8H6BrFN2O and a molecular weight of 245.05 g/mol. Its IUPAC name is 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide
PubChem CID169482979
Molecular FormulaC8H6BrFN2O
Molecular Weight245.05 g/mol
Exact Mass243.96
IUPAC Name3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1cc(Br)ncc1F
InChIInChI=1S/C8H6BrFN2O/c9-7-3-5(1-2-8(11)13)6(10)4-12-7/h1-4H,(H2,11,13)
InChIKeyTWHMZYAOSAARDM-UHFFFAOYSA-N
XLogP1.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(3-bromoprop-1-enyl)-5-fluoropyridine
CID 169476766
3-(7-fluoroquinolin-6-yl)prop-2-enamide
CID 169482434
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
3-(2-bromo-3-pyridinyl)prop-2-enamide
CID 169482701
3-(3,5-dibromo-4-pyridinyl)prop-2-enamide
CID 169482978
nitroso 2-bromo-5-fluoropyridine-4-carboxylate
CID 175054783
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
3-(2-fluoro-4-hydroxy-5-nitrophenyl)prop-2-enamide
CID 169482372
3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482776
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
1-(2-bromo-5-fluoro-4-pyridinyl)-2,2-difluoroethanone
CID 171367762
(E)-3-(3,4,5-tribromo-2-hydroxyphenyl)prop-2-enamide
CID 131551507

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide (CID 169482979) is 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide is NC(=O)C=Cc1cc(Br)ncc1F.
What is the InChIKey of 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide?
The InChIKey is TWHMZYAOSAARDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2O/c9-7-3-5(1-2-8(11)13)6(10)4-12-7/h1-4H,(H2,11,13).
What are the key properties of 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide?
3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide has a molecular weight of 245.05 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluoro-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169482979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).