5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one

C7H7BrF2N2O — CID 130104680

IUPAC5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(C(F)F)cc(=O)[nH]c1CBr
InChIInChI=1S/C7H7BrF2N2O/c8-2-4-6(11)3(7(9)10)1-5(13)12-4/h1,7H,2,11H2,(H,12,13)
InChIKeyBQBMCURJFOTUEQ-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.79
Rot. Bonds2

About 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one

5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 130104680) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
PubChem CID130104680
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
SMILESNc1c(C(F)F)cc(=O)[nH]c1CBr
InChIInChI=1S/C7H7BrF2N2O/c8-2-4-6(11)3(7(9)10)1-5(13)12-4/h1,7H,2,11H2,(H,12,13)
InChIKeyBQBMCURJFOTUEQ-UHFFFAOYSA-N
XLogP1.79
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
4-amino-6-(bromomethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104697
methyl 2-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130084940
5-(bromomethyl)-4-(difluoromethyl)-6-hydroxy-1H-pyridin-2-one
CID 130100163
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 118842576
6-amino-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 119016905
6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
CID 130079410
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one (CID 130104680) is 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one is Nc1c(C(F)F)cc(=O)[nH]c1CBr.
What is the InChIKey of 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is BQBMCURJFOTUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-2-4-6(11)3(7(9)10)1-5(13)12-4/h1,7H,2,11H2,(H,12,13).
What are the key properties of 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one?
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 253.05 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130104680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).