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

C6H3BrClF2NO — CID 130107847

IUPAC3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(Cl)c[nH]c(C(F)F)c1Br
InChIInChI=1S/C6H3BrClF2NO/c7-3-4(6(9)10)11-1-2(8)5(3)12/h1,6H,(H,11,12)
InChIKeyVHCQWOCHYNJQIO-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.73
Rot. Bonds1

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

3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one (PubChem CID 130107847) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
PubChem CID130107847
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one
SMILESO=c1c(Cl)c[nH]c(C(F)F)c1Br
InChIInChI=1S/C6H3BrClF2NO/c7-3-4(6(9)10)11-1-2(8)5(3)12/h1,6H,(H,11,12)
InChIKeyVHCQWOCHYNJQIO-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110472
5-chloro-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 130072646
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455
3-amino-2-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130103823
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970
2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118815340
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-sulfonamide
CID 130100388
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one (CID 130107847) is 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one is O=c1c(Cl)c[nH]c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
The InChIKey is VHCQWOCHYNJQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-3-4(6(9)10)11-1-2(8)5(3)12/h1,6H,(H,11,12).
What are the key properties of 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one?
3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one has a molecular weight of 258.45 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(difluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130107847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).