3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one

C7H6BrN3O — CID 74891981

IUPAC3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
SMILESNc1c[nH]c2c(=O)c(Br)c[nH]c12
InChIInChI=1S/C7H6BrN3O/c8-3-1-10-5-4(9)2-11-6(5)7(3)12/h1-2,11H,9H2,(H,10,12)
InChIKeyHVDXSLDQHPRGCG-UHFFFAOYSA-N
MW228.05 g/mol
LogP1.20
Rot. Bonds

About 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one

3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one (PubChem CID 74891981) has the molecular formula C7H6BrN3O and a molecular weight of 228.05 g/mol. Its IUPAC name is 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
PubChem CID74891981
Molecular FormulaC7H6BrN3O
Molecular Weight228.05 g/mol
Exact Mass226.97
IUPAC Name3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
SMILESNc1c[nH]c2c(=O)c(Br)c[nH]c12
InChIInChI=1S/C7H6BrN3O/c8-3-1-10-5-4(9)2-11-6(5)7(3)12/h1-2,11H,9H2,(H,10,12)
InChIKeyHVDXSLDQHPRGCG-UHFFFAOYSA-N
XLogP1.20
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The IUPAC name of 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one (CID 74891981) is 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one.
What is the SMILES notation for 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The canonical SMILES for 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one is Nc1c[nH]c2c(=O)c(Br)c[nH]c12.
What is the InChIKey of 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The InChIKey is HVDXSLDQHPRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O/c8-3-1-10-5-4(9)2-11-6(5)7(3)12/h1-2,11H,9H2,(H,10,12).
What are the key properties of 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one has a molecular weight of 228.05 g/mol, XLogP of 1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one is sourced from PubChem (CID 74891981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).