6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

C9H10BrN3O — CID 134228664

IUPAC6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2ncc(Br)cc21
InChIInChI=1S/C9H10BrN3O/c1-5(2)13-7-3-6(10)4-11-8(7)12-9(13)14/h3-5H,1-2H3,(H,11,12,14)
InChIKeyYPOMVUBNSACYQL-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.07
Rot. Bonds1

About 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134228664) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134228664
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2ncc(Br)cc21
InChIInChI=1S/C9H10BrN3O/c1-5(2)13-7-3-6(10)4-11-8(7)12-9(13)14/h3-5H,1-2H3,(H,11,12,14)
InChIKeyYPOMVUBNSACYQL-UHFFFAOYSA-N
XLogP2.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 134228664) is 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)[nH]c2ncc(Br)cc21.
What is the InChIKey of 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is YPOMVUBNSACYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-5(2)13-7-3-6(10)4-11-8(7)12-9(13)14/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?
6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134228664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).