2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid

C15H12N2O8 — CID 141229427

IUPAC2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
SMILESCOC(=O)c1ncccc1C(=O)O.O=C(O)c1cccnc1C(=O)O
InChIInChI=1S/C8H7NO4.C7H5NO4/c1-13-8(12)6-5(7(10)11)3-2-4-9-6;9-6(10)4-2-1-3-8-5(4)7(11)12/h2-4H,1H3,(H,10,11);1-3H,(H,9,10)(H,11,12)
InChIKeyZTNDRWVYMHZSLB-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.04
Rot. Bonds4

About 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid

2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid (PubChem CID 141229427) has the molecular formula C15H12N2O8 and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
PubChem CID141229427
Molecular FormulaC15H12N2O8
Molecular Weight348.27 g/mol
Exact Mass348.06
IUPAC Name2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
SMILESCOC(=O)c1ncccc1C(=O)O.O=C(O)c1cccnc1C(=O)O
InChIInChI=1S/C8H7NO4.C7H5NO4/c1-13-8(12)6-5(7(10)11)3-2-4-9-6;9-6(10)4-2-1-3-8-5(4)7(11)12/h2-4H,1H3,(H,10,11);1-3H,(H,9,10)(H,11,12)
InChIKeyZTNDRWVYMHZSLB-UHFFFAOYSA-N
XLogP1.04
TPSA163.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
furo[3,4-b]pyridine-5,7-dione;2-methoxycarbonylpyridine-3-carboxylic acid
CID 160805787
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
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
sodium;copper;hydride;phosphorous acid;pyridine-2,3-dicarboxylic acid
CID 175504102
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid
CID 19700910
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid?
The IUPAC name of 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid (CID 141229427) is 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid is COC(=O)c1ncccc1C(=O)O.O=C(O)c1cccnc1C(=O)O.
What is the InChIKey of 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid?
The InChIKey is ZTNDRWVYMHZSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.C7H5NO4/c1-13-8(12)6-5(7(10)11)3-2-4-9-6;9-6(10)4-2-1-3-8-5(4)7(11)12/h2-4H,1H3,(H,10,11);1-3H,(H,9,10)(H,11,12).
What are the key properties of 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid?
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid has a molecular weight of 348.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 141229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).