5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one

C10H9BrClN3O — CID 60668097

IUPAC5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one
SMILESCn1c(Cl)cnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H9BrClN3O/c1-14-8(12)4-13-9(14)6-15-5-7(11)2-3-10(15)16/h2-5H,6H2,1H3
InChIKeyPJGFSXXCIGEKIQ-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.05
Rot. Bonds2

About 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one

5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one (PubChem CID 60668097) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one
PubChem CID60668097
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one
SMILESCn1c(Cl)cnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H9BrClN3O/c1-14-8(12)4-13-9(14)6-15-5-7(11)2-3-10(15)16/h2-5H,6H2,1H3
InChIKeyPJGFSXXCIGEKIQ-UHFFFAOYSA-N
XLogP2.05
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one (CID 60668097) is 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one is Cn1c(Cl)cnc1Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one?
The InChIKey is PJGFSXXCIGEKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-14-8(12)4-13-9(14)6-15-5-7(11)2-3-10(15)16/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one?
5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one has a molecular weight of 302.56 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 60668097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).