6-methoxycarbonylpyridine-2-carboxylic acid

C8H7NO4 — CID 4019172

IUPAC6-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)
InChIKeyVWIOMFMPIVMLIR-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.57
Rot. Bonds2

About 6-methoxycarbonylpyridine-2-carboxylic acid

6-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 4019172) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 6-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID4019172
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name6-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)
InChIKeyVWIOMFMPIVMLIR-UHFFFAOYSA-N
XLogP0.57
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 6-methoxycarbonylpyridine-2-carboxylic acid (CID 4019172) is 6-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 6-methoxycarbonylpyridine-2-carboxylic acid is COC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is VWIOMFMPIVMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of 6-methoxycarbonylpyridine-2-carboxylic acid?
6-methoxycarbonylpyridine-2-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 4019172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).