5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one

C10H12BrN3O — CID 141274032

IUPAC5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(NC2=CCCN2)c1=O
InChIInChI=1S/C10H12BrN3O/c1-14-6-7(11)5-8(10(14)15)13-9-3-2-4-12-9/h3,5-6,12-13H,2,4H2,1H3
InChIKeyDTXKEUWKZGCFNU-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.39
Rot. Bonds2

About 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one

5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one (PubChem CID 141274032) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one
PubChem CID141274032
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(NC2=CCCN2)c1=O
InChIInChI=1S/C10H12BrN3O/c1-14-6-7(11)5-8(10(14)15)13-9-3-2-4-12-9/h3,5-6,12-13H,2,4H2,1H3
InChIKeyDTXKEUWKZGCFNU-UHFFFAOYSA-N
XLogP1.39
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one (CID 141274032) is 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one is Cn1cc(Br)cc(NC2=CCCN2)c1=O.
What is the InChIKey of 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one?
The InChIKey is DTXKEUWKZGCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-14-6-7(11)5-8(10(14)15)13-9-3-2-4-12-9/h3,5-6,12-13H,2,4H2,1H3.
What are the key properties of 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one?
5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dihydro-1H-pyrrol-5-ylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 141274032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).