methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate

C9H6BrNO3 — CID 45356736

IUPACmethyl 5-bromofuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(Br)cnc2o1
InChIInChI=1S/C9H6BrNO3/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,1H3
InChIKeyVGBZSSLEHHHGPW-UHFFFAOYSA-N
MW256.05 g/mol
LogP2.38
Rot. Bonds1

About methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate

methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate (PubChem CID 45356736) has the molecular formula C9H6BrNO3 and a molecular weight of 256.05 g/mol. Its IUPAC name is methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromofuro[2,3-b]pyridine-2-carboxylate
PubChem CID45356736
Molecular FormulaC9H6BrNO3
Molecular Weight256.05 g/mol
Exact Mass254.95
IUPAC Namemethyl 5-bromofuro[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(Br)cnc2o1
InChIInChI=1S/C9H6BrNO3/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,1H3
InChIKeyVGBZSSLEHHHGPW-UHFFFAOYSA-N
XLogP2.38
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate (CID 45356736) is methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2cc(Br)cnc2o1.
What is the InChIKey of methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate?
The InChIKey is VGBZSSLEHHHGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO3/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,1H3.
What are the key properties of methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate?
methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate has a molecular weight of 256.05 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromofuro[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 45356736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).