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

C10H10BrN3O — CID 60773352

IUPAC5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
SMILESCn1ccnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H10BrN3O/c1-13-5-4-12-9(13)7-14-6-8(11)2-3-10(14)15/h2-6H,7H2,1H3
InChIKeyGZKTUQMMBQPARC-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.39
Rot. Bonds2

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

5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one (PubChem CID 60773352) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
PubChem CID60773352
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one
SMILESCn1ccnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H10BrN3O/c1-13-5-4-12-9(13)7-14-6-8(11)2-3-10(14)15/h2-6H,7H2,1H3
InChIKeyGZKTUQMMBQPARC-UHFFFAOYSA-N
XLogP1.39
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one (CID 60773352) is 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one is Cn1ccnc1Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
The InChIKey is GZKTUQMMBQPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-13-5-4-12-9(13)7-14-6-8(11)2-3-10(14)15/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one?
5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one has a molecular weight of 268.11 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1-methylimidazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 60773352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).