1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone

C10H12BrFN2O — CID 123490471

IUPAC1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1nc(Br)c(C(C)(C)F)cc1N
InChIInChI=1S/C10H12BrFN2O/c1-5(15)8-7(13)4-6(9(11)14-8)10(2,3)12/h4H,13H2,1-3H3
InChIKeyQNLPZXLIWLWRCK-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.83
Rot. Bonds2

About 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone

1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone (PubChem CID 123490471) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone
PubChem CID123490471
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1nc(Br)c(C(C)(C)F)cc1N
InChIInChI=1S/C10H12BrFN2O/c1-5(15)8-7(13)4-6(9(11)14-8)10(2,3)12/h4H,13H2,1-3H3
InChIKeyQNLPZXLIWLWRCK-UHFFFAOYSA-N
XLogP2.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone (CID 123490471) is 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone is CC(=O)c1nc(Br)c(C(C)(C)F)cc1N.
What is the InChIKey of 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone?
The InChIKey is QNLPZXLIWLWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-5(15)8-7(13)4-6(9(11)14-8)10(2,3)12/h4H,13H2,1-3H3.
What are the key properties of 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone?
1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone has a molecular weight of 275.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-bromo-5-(2-fluoropropan-2-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 123490471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).