5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one

C10H10BrN3O2 — CID 118021733

IUPAC5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one
SMILESCn1cc(Oc2cc(Br)cn(C)c2=O)cn1
InChIInChI=1S/C10H10BrN3O2/c1-13-5-7(11)3-9(10(13)15)16-8-4-12-14(2)6-8/h3-6H,1-2H3
InChIKeyKCPWTRVPTBHWGI-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.67
Rot. Bonds2

About 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one

5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one (PubChem CID 118021733) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one
PubChem CID118021733
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one
SMILESCn1cc(Oc2cc(Br)cn(C)c2=O)cn1
InChIInChI=1S/C10H10BrN3O2/c1-13-5-7(11)3-9(10(13)15)16-8-4-12-14(2)6-8/h3-6H,1-2H3
InChIKeyKCPWTRVPTBHWGI-UHFFFAOYSA-N
XLogP1.67
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one (CID 118021733) is 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one is Cn1cc(Oc2cc(Br)cn(C)c2=O)cn1.
What is the InChIKey of 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one?
The InChIKey is KCPWTRVPTBHWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-13-5-7(11)3-9(10(13)15)16-8-4-12-14(2)6-8/h3-6H,1-2H3.
What are the key properties of 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one?
5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one has a molecular weight of 284.11 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one is sourced from PubChem (CID 118021733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).