2-carbamoylpyridine-4-carboxylic acid

C7H6N2O3 — CID 19966498

IUPAC2-carbamoylpyridine-4-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C7H6N2O3/c8-6(10)5-3-4(7(11)12)1-2-9-5/h1-3H,(H2,8,10)(H,11,12)
InChIKeyRIEKUXDEDZHANI-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.12
Rot. Bonds2

About 2-carbamoylpyridine-4-carboxylic acid

2-carbamoylpyridine-4-carboxylic acid (PubChem CID 19966498) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is 2-carbamoylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-carbamoylpyridine-4-carboxylic acid
PubChem CID19966498
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name2-carbamoylpyridine-4-carboxylic acid
SMILESNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C7H6N2O3/c8-6(10)5-3-4(7(11)12)1-2-9-5/h1-3H,(H2,8,10)(H,11,12)
InChIKeyRIEKUXDEDZHANI-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 2-carbamoylpyridine-4-carboxylic acid?
The IUPAC name of 2-carbamoylpyridine-4-carboxylic acid (CID 19966498) is 2-carbamoylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-carbamoylpyridine-4-carboxylic acid?
The canonical SMILES for 2-carbamoylpyridine-4-carboxylic acid is NC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-carbamoylpyridine-4-carboxylic acid?
The InChIKey is RIEKUXDEDZHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c8-6(10)5-3-4(7(11)12)1-2-9-5/h1-3H,(H2,8,10)(H,11,12).
What are the key properties of 2-carbamoylpyridine-4-carboxylic acid?
2-carbamoylpyridine-4-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 2-carbamoylpyridine-4-carboxylic acid is sourced from PubChem (CID 19966498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).