3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one

C12H9BrClNO2 — CID 121001106

IUPAC3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OCc2ccc(Cl)cc2)c1Br
InChIInChI=1S/C12H9BrClNO2/c13-11-10(5-6-15-12(11)16)17-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyCMIZAVLYHMZVRM-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.37
Rot. Bonds3

About 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one

3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one (PubChem CID 121001106) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
PubChem CID121001106
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(OCc2ccc(Cl)cc2)c1Br
InChIInChI=1S/C12H9BrClNO2/c13-11-10(5-6-15-12(11)16)17-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16)
InChIKeyCMIZAVLYHMZVRM-UHFFFAOYSA-N
XLogP3.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
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5-chloro-3-phenylmethoxy-1H-pyridin-2-one
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1-bromo-2-[(4-chlorophenyl)methoxy]-4-nitrobenzene
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2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyran-4-one
CID 82063981
4-[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
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2-[(4-chlorophenyl)methoxy]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one (CID 121001106) is 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one is O=c1[nH]ccc(OCc2ccc(Cl)cc2)c1Br.
What is the InChIKey of 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
The InChIKey is CMIZAVLYHMZVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-11-10(5-6-15-12(11)16)17-7-8-1-3-9(14)4-2-8/h1-6H,7H2,(H,15,16).
What are the key properties of 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one?
3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one has a molecular weight of 314.57 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one is sourced from PubChem (CID 121001106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).