2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one

C7H6BrF2NO2 — CID 119000477

IUPAC2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(Br)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-13-5-4(12)3(7(9)10)2-11-6(5)8/h2,7H,1H3,(H,11,12)
InChIKeyYMIBHUUVENOFMG-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.08
Rot. Bonds2

About 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one

2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (PubChem CID 119000477) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
PubChem CID119000477
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(Br)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C7H6BrF2NO2/c1-13-5-4(12)3(7(9)10)2-11-6(5)8/h2,7H,1H3,(H,11,12)
InChIKeyYMIBHUUVENOFMG-UHFFFAOYSA-N
XLogP2.08
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 52.08
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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Related Compounds

3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070
3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
3-amino-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130104559
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130083354
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
3-amino-5-(difluoromethyl)-2-fluoro-1H-pyridin-4-one
CID 130103833
methyl 3-(bromomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 130084968
ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
5-(difluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134667310
methyl 2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130085281
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one (CID 119000477) is 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is COc1c(Br)[nH]cc(C(F)F)c1=O.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
The InChIKey is YMIBHUUVENOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c1-13-5-4(12)3(7(9)10)2-11-6(5)8/h2,7H,1H3,(H,11,12).
What are the key properties of 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one?
2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one has a molecular weight of 254.03 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 119000477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).