4-methoxycarbonylpyridine-2-carboxylic acid

C8H7NO4 — CID 13353752

IUPAC4-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,10,11)
InChIKeyAWYZUHWYUSSDAI-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.57
Rot. Bonds2

About 4-methoxycarbonylpyridine-2-carboxylic acid

4-methoxycarbonylpyridine-2-carboxylic acid (PubChem CID 13353752) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 4-methoxycarbonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonylpyridine-2-carboxylic acid
PubChem CID13353752
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name4-methoxycarbonylpyridine-2-carboxylic acid
SMILESCOC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,10,11)
InChIKeyAWYZUHWYUSSDAI-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 4-methoxycarbonylpyridine-2-carboxylic acid?
The IUPAC name of 4-methoxycarbonylpyridine-2-carboxylic acid (CID 13353752) is 4-methoxycarbonylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonylpyridine-2-carboxylic acid?
The canonical SMILES for 4-methoxycarbonylpyridine-2-carboxylic acid is COC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-methoxycarbonylpyridine-2-carboxylic acid?
The InChIKey is AWYZUHWYUSSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of 4-methoxycarbonylpyridine-2-carboxylic acid?
4-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 4-methoxycarbonylpyridine-2-carboxylic acid is sourced from PubChem (CID 13353752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).