methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate

C10H7NO4 — CID 122714828

IUPACmethyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2cccnc2c(=O)o1
InChIInChI=1S/C10H7NO4/c1-14-9(12)7-5-6-3-2-4-11-8(6)10(13)15-7/h2-5H,1H3
InChIKeyRHFMJGZKHIAGFU-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.97
Rot. Bonds1

About methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate

methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate (PubChem CID 122714828) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate
PubChem CID122714828
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Namemethyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2cccnc2c(=O)o1
InChIInChI=1S/C10H7NO4/c1-14-9(12)7-5-6-3-2-4-11-8(6)10(13)15-7/h2-5H,1H3
InChIKeyRHFMJGZKHIAGFU-UHFFFAOYSA-N
XLogP0.97
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-oxopyrano[3,4-b]pyridine-6-carboxylic acid
CID 122714827
methyl 6-methyl-1-oxoisochromene-3-carboxylate
CID 165441452
methyl 5-(quinoline-6-carbonyl)furan-2-carboxylate
CID 106946573
methyl 7,8-dihydroxy-1-oxoisochromene-3-carboxylate
CID 71356471
methyl 5-(2-methoxyethoxy)-6-oxo-4-(pyrimidin-2-ylamino)pyran-2-carboxylate
CID 172587864
dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
methyl 8-fluoroquinoline-7-carboxylate
CID 169130767
methyl 3-quinolin-8-ylbenzoate
CID 4189037
methyl 7-(6,8-dihydroxy-3-methoxycarbonyl-1-oxoisochromen-7-yl)-6,8-dihydroxy-1-oxoisochromene-3-carboxylate
CID 23958176
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296
methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
CID 53469334

Frequently Asked Questions

What is the IUPAC name of methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate (CID 122714828) is methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate is COC(=O)c1cc2cccnc2c(=O)o1.
What is the InChIKey of methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate?
The InChIKey is RHFMJGZKHIAGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c1-14-9(12)7-5-6-3-2-4-11-8(6)10(13)15-7/h2-5H,1H3.
What are the key properties of methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate?
methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 122714828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).