methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate

C16H13NO4 — CID 156693356

IUPACmethyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate
SMILESCOC(=O)c1nc(C)c2oc(-c3ccccc3)cc2c1O
InChIInChI=1S/C16H13NO4/c1-9-15-11(14(18)13(17-9)16(19)20-2)8-12(21-15)10-6-4-3-5-7-10/h3-8,18H,1-2H3
InChIKeyORQYIUPNWAMNOU-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.30
Rot. Bonds2

About methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate

methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate (PubChem CID 156693356) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate
PubChem CID156693356
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate
SMILESCOC(=O)c1nc(C)c2oc(-c3ccccc3)cc2c1O
InChIInChI=1S/C16H13NO4/c1-9-15-11(14(18)13(17-9)16(19)20-2)8-12(21-15)10-6-4-3-5-7-10/h3-8,18H,1-2H3
InChIKeyORQYIUPNWAMNOU-UHFFFAOYSA-N
XLogP3.30
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate?
The IUPAC name of methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate (CID 156693356) is methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate is COC(=O)c1nc(C)c2oc(-c3ccccc3)cc2c1O.
What is the InChIKey of methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate?
The InChIKey is ORQYIUPNWAMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-9-15-11(14(18)13(17-9)16(19)20-2)8-12(21-15)10-6-4-3-5-7-10/h3-8,18H,1-2H3.
What are the key properties of methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate?
methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-7-methyl-2-phenylfuro[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 156693356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).