6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

C7H6BrF2NO2 — CID 119006394

IUPAC6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(Br)[nH]1
InChIInChI=1S/C7H6BrF2NO2/c8-6-4(2-12)3(7(9)10)1-5(13)11-6/h1,7,12H,2H2,(H,11,13)
InChIKeyKRZLQWVZFVFHEP-UHFFFAOYSA-N
MW254.03 g/mol
LogP1.57
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one

6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 119006394) has the molecular formula C7H6BrF2NO2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID119006394
Molecular FormulaC7H6BrF2NO2
Molecular Weight254.03 g/mol
Exact Mass252.95
IUPAC Name6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)F)c(CO)c(Br)[nH]1
InChIInChI=1S/C7H6BrF2NO2/c8-6-4(2-12)3(7(9)10)1-5(13)11-6/h1,7,12H,2H2,(H,11,13)
InChIKeyKRZLQWVZFVFHEP-UHFFFAOYSA-N
XLogP1.57
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 51.57
H-Bond Donors ≤ 52
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 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one (CID 119006394) is 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(C(F)F)c(CO)c(Br)[nH]1.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is KRZLQWVZFVFHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2/c8-6-4(2-12)3(7(9)10)1-5(13)11-6/h1,7,12H,2H2,(H,11,13).
What are the key properties of 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one?
6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 254.03 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 119006394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).