methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate

C15H11NO4 — CID 66971768

IUPACmethyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1ncc2c(-c3ccccc3)coc2c1O
InChIInChI=1S/C15H11NO4/c1-19-15(18)12-13(17)14-10(7-16-12)11(8-20-14)9-5-3-2-4-6-9/h2-8,17H,1H3
InChIKeyKRFPOJDCTUNVSO-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.99
Rot. Bonds2

About methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate

methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate (PubChem CID 66971768) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
PubChem CID66971768
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namemethyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1ncc2c(-c3ccccc3)coc2c1O
InChIInChI=1S/C15H11NO4/c1-19-15(18)12-13(17)14-10(7-16-12)11(8-20-14)9-5-3-2-4-6-9/h2-8,17H,1H3
InChIKeyKRFPOJDCTUNVSO-UHFFFAOYSA-N
XLogP2.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate (CID 66971768) is methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate is COC(=O)c1ncc2c(-c3ccccc3)coc2c1O.
What is the InChIKey of methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate?
The InChIKey is KRFPOJDCTUNVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-15(18)12-13(17)14-10(7-16-12)11(8-20-14)9-5-3-2-4-6-9/h2-8,17H,1H3.
What are the key properties of methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate?
methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 66971768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).