[(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

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

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Related Compounds

[(1S)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] 5-propan-2-yloxypyridine-3-carboxylate
CID 97085437
1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 6-imidazol-1-ylpyridine-3-carboxylate
CID 75524747
1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 72693206
1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3-nitrophenyl)prop-2-enoate
CID 72690456
[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] (7S)-4,5,7-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 100612058
[(1R)-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl] (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 99808802
methane;propan-2-yl furan-2-carboxylate
CID 157166715
(Z)-N-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 97377795
methyl 2-(1-chloroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 104663584
2-amino-1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethanol
CID 66166285
N-[1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-1-amine
CID 63024140
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533

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).