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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Related Compounds

methyl 5-hydroxy-8-methyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 140866878
methyl 5-hydroxy-8-methyl-2-phenoxy-1,7-naphthyridine-6-carboxylate
CID 137285329
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792
methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 58874245
methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate
CID 14000298
methyl 5,8-dimethyl-2-phenyl-1,7-naphthyridine-6-carboxylate
CID 177153656
methyl 2-methylbenzo[g]quinoxaline-3-carboxylate
CID 15545499
methyl 7-hydroxy-2-naphthalen-2-yl-1-benzofuran-4-carboxylate
CID 101474139
methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
CID 66971768
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
methyl 7-hydroxy-2-phenyl-4-(2-phenylethynyl)-[1,3]oxazolo[4,5-c]pyridine-6-carboxylate
CID 67530487
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962

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).