3-bromo-4-chloro-1H-pyridin-2-one

C5H3BrClNO — CID 119024517

IUPAC3-bromo-4-chloro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Cl)c1Br
InChIInChI=1S/C5H3BrClNO/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H,8,9)
InChIKeyXILIPMFTKVCHLJ-UHFFFAOYSA-N
MW208.44 g/mol
LogP1.79
Rot. Bonds

About 3-bromo-4-chloro-1H-pyridin-2-one

3-bromo-4-chloro-1H-pyridin-2-one (PubChem CID 119024517) has the molecular formula C5H3BrClNO and a molecular weight of 208.44 g/mol. Its IUPAC name is 3-bromo-4-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-chloro-1H-pyridin-2-one
PubChem CID119024517
Molecular FormulaC5H3BrClNO
Molecular Weight208.44 g/mol
Exact Mass206.91
IUPAC Name3-bromo-4-chloro-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Cl)c1Br
InChIInChI=1S/C5H3BrClNO/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H,8,9)
InChIKeyXILIPMFTKVCHLJ-UHFFFAOYSA-N
XLogP1.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-chloro-1H-pyridin-2-one (CID 119024517) is 3-bromo-4-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-chloro-1H-pyridin-2-one is O=c1[nH]ccc(Cl)c1Br.
What is the InChIKey of 3-bromo-4-chloro-1H-pyridin-2-one?
The InChIKey is XILIPMFTKVCHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H,8,9).
What are the key properties of 3-bromo-4-chloro-1H-pyridin-2-one?
3-bromo-4-chloro-1H-pyridin-2-one has a molecular weight of 208.44 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-1H-pyridin-2-one is sourced from PubChem (CID 119024517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).