furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid

C15H10N2O7 — CID 160805787

IUPACfuro[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1ncccc1C(=O)O.O=C1OC(=O)c2ncccc21
InChIInChI=1S/C8H7NO4.C7H3NO3/c1-13-8(12)6-5(7(10)11)3-2-4-9-6;9-6-4-2-1-3-8-5(4)7(10)11-6/h2-4H,1H3,(H,10,11);1-3H
InChIKeySDRAKXITCRZKSL-UHFFFAOYSA-N
MW330.25 g/mol
LogP0.96
Rot. Bonds2

About furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid

furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid (PubChem CID 160805787) has the molecular formula C15H10N2O7 and a molecular weight of 330.25 g/mol. Its IUPAC name is furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Namefuro[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid
PubChem CID160805787
Molecular FormulaC15H10N2O7
Molecular Weight330.25 g/mol
Exact Mass330.05
IUPAC Namefuro[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid
SMILESCOC(=O)c1ncccc1C(=O)O.O=C1OC(=O)c2ncccc21
InChIInChI=1S/C8H7NO4.C7H3NO3/c1-13-8(12)6-5(7(10)11)3-2-4-9-6;9-6-4-2-1-3-8-5(4)7(10)11-6/h2-4H,1H3,(H,10,11);1-3H
InChIKeySDRAKXITCRZKSL-UHFFFAOYSA-N
XLogP0.96
TPSA132.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid
CID 19700910
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861

Frequently Asked Questions

What is the IUPAC name of furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid (CID 160805787) is furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid is COC(=O)c1ncccc1C(=O)O.O=C1OC(=O)c2ncccc21.
What is the InChIKey of furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is SDRAKXITCRZKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.C7H3NO3/c1-13-8(12)6-5(7(10)11)3-2-4-9-6;9-6-4-2-1-3-8-5(4)7(10)11-6/h2-4H,1H3,(H,10,11);1-3H.
What are the key properties of furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid?
furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 330.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 160805787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).