2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one

C8H8F2N2O — CID 84660437

IUPAC2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one
SMILESCC(N)C(=O)c1cc(F)ncc1F
InChIInChI=1S/C8H8F2N2O/c1-4(11)8(13)5-2-7(10)12-3-6(5)9/h2-4H,11H2,1H3
InChIKeyLNOPKRVVJWUBKP-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one

2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one (PubChem CID 84660437) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one
PubChem CID84660437
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one
SMILESCC(N)C(=O)c1cc(F)ncc1F
InChIInChI=1S/C8H8F2N2O/c1-4(11)8(13)5-2-7(10)12-3-6(5)9/h2-4H,11H2,1H3
InChIKeyLNOPKRVVJWUBKP-UHFFFAOYSA-N
XLogP0.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.89
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 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one?
The IUPAC name of 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one (CID 84660437) is 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one is CC(N)C(=O)c1cc(F)ncc1F.
What is the InChIKey of 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one?
The InChIKey is LNOPKRVVJWUBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-4(11)8(13)5-2-7(10)12-3-6(5)9/h2-4H,11H2,1H3.
What are the key properties of 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one?
2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one has a molecular weight of 186.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one is sourced from PubChem (CID 84660437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).