3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide

C8H8BrFN2O3 — CID 171869593

IUPAC3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Br)ncc1F
InChIInChI=1S/C8H8BrFN2O3/c9-5-1-3(4(10)2-12-5)6(13)7(14)8(11)15/h1-2,6-7,13-14H,(H2,11,15)
InChIKeyJULMBZKQXACUKA-UHFFFAOYSA-N
MW279.06 g/mol
LogP-0.14
Rot. Bonds3

About 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide

3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide (PubChem CID 171869593) has the molecular formula C8H8BrFN2O3 and a molecular weight of 279.06 g/mol. Its IUPAC name is 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide
PubChem CID171869593
Molecular FormulaC8H8BrFN2O3
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(Br)ncc1F
InChIInChI=1S/C8H8BrFN2O3/c9-5-1-3(4(10)2-12-5)6(13)7(14)8(11)15/h1-2,6-7,13-14H,(H2,11,15)
InChIKeyJULMBZKQXACUKA-UHFFFAOYSA-N
XLogP-0.14
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide (CID 171869593) is 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(Br)ncc1F.
What is the InChIKey of 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide?
The InChIKey is JULMBZKQXACUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O3/c9-5-1-3(4(10)2-12-5)6(13)7(14)8(11)15/h1-2,6-7,13-14H,(H2,11,15).
What are the key properties of 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide?
3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide has a molecular weight of 279.06 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).