[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate

C13H10BrN3O3 — CID 95310017

IUPAC[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C13H10BrN3O3/c1-7(20-13(18)10-3-2-4-19-10)11-16-9-5-8(14)6-15-12(9)17-11/h2-7H,1H3,(H,15,16,17)/t7-/m1/s1
InChIKeyRFRKAPJQMKULIK-SSDOTTSWSA-N
MW336.15 g/mol
LogP3.23
Rot. Bonds3

About [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate

[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate (PubChem CID 95310017) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate
PubChem CID95310017
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccco1)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C13H10BrN3O3/c1-7(20-13(18)10-3-2-4-19-10)11-16-9-5-8(14)6-15-12(9)17-11/h2-7H,1H3,(H,15,16,17)/t7-/m1/s1
InChIKeyRFRKAPJQMKULIK-SSDOTTSWSA-N
XLogP3.23
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate?
The IUPAC name of [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate (CID 95310017) is [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate.
What is the SMILES notation for [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate?
The canonical SMILES for [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate is C[C@@H](OC(=O)c1ccco1)c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate?
The InChIKey is RFRKAPJQMKULIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c1-7(20-13(18)10-3-2-4-19-10)11-16-9-5-8(14)6-15-12(9)17-11/h2-7H,1H3,(H,15,16,17)/t7-/m1/s1.
What are the key properties of [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate?
[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate has a molecular weight of 336.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] furan-2-carboxylate is sourced from PubChem (CID 95310017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).