3-(6-carbamoyl-2-pyridinyl)benzoic acid

C13H10N2O3 — CID 102340613

IUPAC3-(6-carbamoyl-2-pyridinyl)benzoic acid
SMILESNC(=O)c1cccc(-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C13H10N2O3/c14-12(16)11-6-2-5-10(15-11)8-3-1-4-9(7-8)13(17)18/h1-7H,(H2,14,16)(H,17,18)
InChIKeyQGULUKKXCMIEAW-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.55
Rot. Bonds3

About 3-(6-carbamoyl-2-pyridinyl)benzoic acid

3-(6-carbamoyl-2-pyridinyl)benzoic acid (PubChem CID 102340613) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(6-carbamoyl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-(6-carbamoyl-2-pyridinyl)benzoic acid
PubChem CID102340613
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(6-carbamoyl-2-pyridinyl)benzoic acid
SMILESNC(=O)c1cccc(-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C13H10N2O3/c14-12(16)11-6-2-5-10(15-11)8-3-1-4-9(7-8)13(17)18/h1-7H,(H2,14,16)(H,17,18)
InChIKeyQGULUKKXCMIEAW-UHFFFAOYSA-N
XLogP1.55
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-carbamoyl-2-pyridinyl)benzoic acid?
The IUPAC name of 3-(6-carbamoyl-2-pyridinyl)benzoic acid (CID 102340613) is 3-(6-carbamoyl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 3-(6-carbamoyl-2-pyridinyl)benzoic acid?
The canonical SMILES for 3-(6-carbamoyl-2-pyridinyl)benzoic acid is NC(=O)c1cccc(-c2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-(6-carbamoyl-2-pyridinyl)benzoic acid?
The InChIKey is QGULUKKXCMIEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-12(16)11-6-2-5-10(15-11)8-3-1-4-9(7-8)13(17)18/h1-7H,(H2,14,16)(H,17,18).
What are the key properties of 3-(6-carbamoyl-2-pyridinyl)benzoic acid?
3-(6-carbamoyl-2-pyridinyl)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-carbamoyl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 102340613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).