6-acetamidopyridine-2-carboxylic acid

C8H8N2O3 — CID 824640

IUPAC6-acetamidopyridine-2-carboxylic acid
SMILESCC(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C8H8N2O3/c1-5(11)9-7-4-2-3-6(10-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKeyLOMWKYHCHCZVCC-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.74
Rot. Bonds2

About 6-acetamidopyridine-2-carboxylic acid

6-acetamidopyridine-2-carboxylic acid (PubChem CID 824640) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-acetamidopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-acetamidopyridine-2-carboxylic acid
PubChem CID824640
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name6-acetamidopyridine-2-carboxylic acid
SMILESCC(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C8H8N2O3/c1-5(11)9-7-4-2-3-6(10-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKeyLOMWKYHCHCZVCC-UHFFFAOYSA-N
XLogP0.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-acetamidopyridine-2-carboxylic acid?
The IUPAC name of 6-acetamidopyridine-2-carboxylic acid (CID 824640) is 6-acetamidopyridine-2-carboxylic acid.
What is the SMILES notation for 6-acetamidopyridine-2-carboxylic acid?
The canonical SMILES for 6-acetamidopyridine-2-carboxylic acid is CC(=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-acetamidopyridine-2-carboxylic acid?
The InChIKey is LOMWKYHCHCZVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5(11)9-7-4-2-3-6(10-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 6-acetamidopyridine-2-carboxylic acid?
6-acetamidopyridine-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamidopyridine-2-carboxylic acid is sourced from PubChem (CID 824640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).