3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide

C8H7Br2FN2O — CID 139391275

IUPAC3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide
SMILESNC(=O)CCc1cc(F)c(Br)nc1Br
InChIInChI=1S/C8H7Br2FN2O/c9-7-4(1-2-6(12)14)3-5(11)8(10)13-7/h3H,1-2H2,(H2,12,14)
InChIKeyUTVZYZKTFSJYAN-UHFFFAOYSA-N
MW325.96 g/mol
LogP2.16
Rot. Bonds3

About 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide

3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide (PubChem CID 139391275) has the molecular formula C8H7Br2FN2O and a molecular weight of 325.96 g/mol. Its IUPAC name is 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide
PubChem CID139391275
Molecular FormulaC8H7Br2FN2O
Molecular Weight325.96 g/mol
Exact Mass323.89
IUPAC Name3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide
SMILESNC(=O)CCc1cc(F)c(Br)nc1Br
InChIInChI=1S/C8H7Br2FN2O/c9-7-4(1-2-6(12)14)3-5(11)8(10)13-7/h3H,1-2H2,(H2,12,14)
InChIKeyUTVZYZKTFSJYAN-UHFFFAOYSA-N
XLogP2.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.96
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide?
The IUPAC name of 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide (CID 139391275) is 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide is NC(=O)CCc1cc(F)c(Br)nc1Br.
What is the InChIKey of 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide?
The InChIKey is UTVZYZKTFSJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2FN2O/c9-7-4(1-2-6(12)14)3-5(11)8(10)13-7/h3H,1-2H2,(H2,12,14).
What are the key properties of 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide?
3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide has a molecular weight of 325.96 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dibromo-5-fluoro-3-pyridinyl)propanamide is sourced from PubChem (CID 139391275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).