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

C5H3BrClNO2 — CID 19844403

IUPAC5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(Cl)c1O
InChIInChI=1S/C5H3BrClNO2/c6-2-1-8-5(10)4(9)3(2)7/h1,9H,(H,8,10)
InChIKeyZWNCNJVDBRUCFL-UHFFFAOYSA-N
MW224.44 g/mol
LogP1.50
Rot. Bonds

About 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one

5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one (PubChem CID 19844403) has the molecular formula C5H3BrClNO2 and a molecular weight of 224.44 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one
PubChem CID19844403
Molecular FormulaC5H3BrClNO2
Molecular Weight224.44 g/mol
Exact Mass222.90
IUPAC Name5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(Cl)c1O
InChIInChI=1S/C5H3BrClNO2/c6-2-1-8-5(10)4(9)3(2)7/h1,9H,(H,8,10)
InChIKeyZWNCNJVDBRUCFL-UHFFFAOYSA-N
XLogP1.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Pyridinediol, 5-chloro-
CID 97629
5-Bromopyridine-2,3-diol
CID 12563083
Dichlorodihydroxypyridine
CID 137554724
4-Chloropyridine-2,3-diol
CID 20162051
5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one
CID 23227166
(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite
CID 70450589
4-bromo-3-hydroxy-1H-pyridin-2-one
CID 90076352
4-Amino-5-bromopyridine-2,3-diol
CID 117880431

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one (CID 19844403) is 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(Br)c(Cl)c1O.
What is the InChIKey of 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one?
The InChIKey is ZWNCNJVDBRUCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2/c6-2-1-8-5(10)4(9)3(2)7/h1,9H,(H,8,10).
What are the key properties of 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one?
5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one has a molecular weight of 224.44 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 19844403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).