3-carbamoylpyridine-2-carboxylic acid

C7H6N2O3 — CID 10313273

IUPAC3-carbamoylpyridine-2-carboxylic acid
SMILESNC(=O)c1cccnc1C(=O)O
InChIInChI=1S/C7H6N2O3/c8-6(10)4-2-1-3-9-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)
InChIKeyCGDAWEVRGAIHJH-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.12
Rot. Bonds2

About 3-carbamoylpyridine-2-carboxylic acid

3-carbamoylpyridine-2-carboxylic acid (PubChem CID 10313273) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-carbamoylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-carbamoylpyridine-2-carboxylic acid
PubChem CID10313273
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name3-carbamoylpyridine-2-carboxylic acid
SMILESNC(=O)c1cccnc1C(=O)O
InChIInChI=1S/C7H6N2O3/c8-6(10)4-2-1-3-9-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12)
InChIKeyCGDAWEVRGAIHJH-UHFFFAOYSA-N
XLogP-0.12
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoylpyridine-2-carboxylic acid?
The IUPAC name of 3-carbamoylpyridine-2-carboxylic acid (CID 10313273) is 3-carbamoylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-carbamoylpyridine-2-carboxylic acid?
The canonical SMILES for 3-carbamoylpyridine-2-carboxylic acid is NC(=O)c1cccnc1C(=O)O.
What is the InChIKey of 3-carbamoylpyridine-2-carboxylic acid?
The InChIKey is CGDAWEVRGAIHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c8-6(10)4-2-1-3-9-5(4)7(11)12/h1-3H,(H2,8,10)(H,11,12).
What are the key properties of 3-carbamoylpyridine-2-carboxylic acid?
3-carbamoylpyridine-2-carboxylic acid has a molecular weight of 166.14 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoylpyridine-2-carboxylic acid is sourced from PubChem (CID 10313273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).