3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

C12H8BrCl2NO — CID 114760860

IUPAC3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8BrCl2NO/c13-10-2-1-5-16(12(10)17)7-8-3-4-9(14)6-11(8)15/h1-6H,7H2
InChIKeyDVBGRHHDNQHLSP-UHFFFAOYSA-N
MW333.01 g/mol
LogP3.97
Rot. Bonds2

About 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one (PubChem CID 114760860) has the molecular formula C12H8BrCl2NO and a molecular weight of 333.01 g/mol. Its IUPAC name is 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
PubChem CID114760860
Molecular FormulaC12H8BrCl2NO
Molecular Weight333.01 g/mol
Exact Mass330.92
IUPAC Name3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8BrCl2NO/c13-10-2-1-5-16(12(10)17)7-8-3-4-9(14)6-11(8)15/h1-6H,7H2
InChIKeyDVBGRHHDNQHLSP-UHFFFAOYSA-N
XLogP3.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.01
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one (CID 114760860) is 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one is O=c1c(Br)cccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The InChIKey is DVBGRHHDNQHLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO/c13-10-2-1-5-16(12(10)17)7-8-3-4-9(14)6-11(8)15/h1-6H,7H2.
What are the key properties of 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one has a molecular weight of 333.01 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 114760860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).