6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one

C13H15BrFN3O2 — CID 67077877

IUPAC6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Br)cc2n1CC(F)C1CCOCC1
InChIInChI=1S/C13H15BrFN3O2/c14-9-5-11-12(16-6-9)17-13(19)18(11)7-10(15)8-1-3-20-4-2-8/h5-6,8,10H,1-4,7H2,(H,16,17,19)
InChIKeyMYQOJWYSNDIFLY-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.25
Rot. Bonds3

About 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one

6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67077877) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67077877
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(Br)cc2n1CC(F)C1CCOCC1
InChIInChI=1S/C13H15BrFN3O2/c14-9-5-11-12(16-6-9)17-13(19)18(11)7-10(15)8-1-3-20-4-2-8/h5-6,8,10H,1-4,7H2,(H,16,17,19)
InChIKeyMYQOJWYSNDIFLY-UHFFFAOYSA-N
XLogP2.25
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 67077877) is 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(Br)cc2n1CC(F)C1CCOCC1.
What is the InChIKey of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is MYQOJWYSNDIFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c14-9-5-11-12(16-6-9)17-13(19)18(11)7-10(15)8-1-3-20-4-2-8/h5-6,8,10H,1-4,7H2,(H,16,17,19).
What are the key properties of 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 344.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-fluoro-2-(oxan-4-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67077877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).