3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one

C10H4Br2Cl2N2O — CID 154630722

IUPAC3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one
SMILESO=c1c(Br)cc(Cl)cn1-c1ncc(Cl)cc1Br
InChIInChI=1S/C10H4Br2Cl2N2O/c11-7-1-5(13)3-15-9(7)16-4-6(14)2-8(12)10(16)17/h1-4H
InChIKeyGBSLKATZWNFSGD-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.06
Rot. Bonds1

About 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one

3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one (PubChem CID 154630722) has the molecular formula C10H4Br2Cl2N2O and a molecular weight of 398.87 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one
PubChem CID154630722
Molecular FormulaC10H4Br2Cl2N2O
Molecular Weight398.87 g/mol
Exact Mass395.81
IUPAC Name3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one
SMILESO=c1c(Br)cc(Cl)cn1-c1ncc(Cl)cc1Br
InChIInChI=1S/C10H4Br2Cl2N2O/c11-7-1-5(13)3-15-9(7)16-4-6(14)2-8(12)10(16)17/h1-4H
InChIKeyGBSLKATZWNFSGD-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one?
The IUPAC name of 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one (CID 154630722) is 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one.
What is the SMILES notation for 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one?
The canonical SMILES for 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one is O=c1c(Br)cc(Cl)cn1-c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one?
The InChIKey is GBSLKATZWNFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2Cl2N2O/c11-7-1-5(13)3-15-9(7)16-4-6(14)2-8(12)10(16)17/h1-4H.
What are the key properties of 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one?
3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one has a molecular weight of 398.87 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-5-chloro-2-pyridinyl)-5-chloropyridin-2-one is sourced from PubChem (CID 154630722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).