methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate

C10H10BrNO4 — CID 10732060

IUPACmethyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)[C@@H](Br)[C@H](OC)O2
InChIInChI=1S/C10H10BrNO4/c1-14-9(13)5-3-4-6-8(12-5)7(11)10(15-2)16-6/h3-4,7,10H,1-2H3/t7-,10-/m1/s1
InChIKeyDRGVCPWMGIFKQL-GMSGAONNSA-N
MW288.10 g/mol
LogP1.67
Rot. Bonds2

About methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate

methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate (PubChem CID 10732060) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
PubChem CID10732060
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Namemethyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc2c(n1)[C@@H](Br)[C@H](OC)O2
InChIInChI=1S/C10H10BrNO4/c1-14-9(13)5-3-4-6-8(12-5)7(11)10(15-2)16-6/h3-4,7,10H,1-2H3/t7-,10-/m1/s1
InChIKeyDRGVCPWMGIFKQL-GMSGAONNSA-N
XLogP1.67
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
The IUPAC name of methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate (CID 10732060) is methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2c(n1)[C@@H](Br)[C@H](OC)O2.
What is the InChIKey of methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
The InChIKey is DRGVCPWMGIFKQL-GMSGAONNSA-N. The full InChI is InChI=1S/C10H10BrNO4/c1-14-9(13)5-3-4-6-8(12-5)7(11)10(15-2)16-6/h3-4,7,10H,1-2H3/t7-,10-/m1/s1.
What are the key properties of methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate?
methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate has a molecular weight of 288.10 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-bromo-2-methoxy-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 10732060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).