3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one

C12H7Br2ClFNO — CID 113411879

IUPAC3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cc(Br)cn1Cc1cccc(F)c1Cl
InChIInChI=1S/C12H7Br2ClFNO/c13-8-4-9(14)12(18)17(6-8)5-7-2-1-3-10(16)11(7)15/h1-4,6H,5H2
InChIKeyAHYTXRVCMHDKLY-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.21
Rot. Bonds2

About 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one

3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 113411879) has the molecular formula C12H7Br2ClFNO and a molecular weight of 395.45 g/mol. Its IUPAC name is 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one
PubChem CID113411879
Molecular FormulaC12H7Br2ClFNO
Molecular Weight395.45 g/mol
Exact Mass392.86
IUPAC Name3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cc(Br)cn1Cc1cccc(F)c1Cl
InChIInChI=1S/C12H7Br2ClFNO/c13-8-4-9(14)12(18)17(6-8)5-7-2-1-3-10(16)11(7)15/h1-4,6H,5H2
InChIKeyAHYTXRVCMHDKLY-UHFFFAOYSA-N
XLogP4.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-3-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 102855891
3,5-dibromo-1-[(2,6-dimethylphenyl)methyl]pyridin-2-one
CID 113411875
3,5-dibromo-1-[(4,6-dichloro-3-pyridinyl)methyl]pyridin-2-one
CID 116519291
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 112549898
5-amino-3-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyridin-2-one
CID 103046554
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629
1-[(4-amino-2-fluorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130711
3-bromo-1-[(2,3-difluorophenyl)methyl]pyridin-2-one
CID 114760822
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985928
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-2-carbaldehyde
CID 112652874
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623355
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one (CID 113411879) is 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one is O=c1c(Br)cc(Br)cn1Cc1cccc(F)c1Cl.
What is the InChIKey of 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is AHYTXRVCMHDKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClFNO/c13-8-4-9(14)12(18)17(6-8)5-7-2-1-3-10(16)11(7)15/h1-4,6H,5H2.
What are the key properties of 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one?
3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 395.45 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 113411879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).