3-benzamido-5-chloropyridine-2-carboxylic acid

C13H9ClN2O3 — CID 162676309

IUPAC3-benzamido-5-chloropyridine-2-carboxylic acid
SMILESO=C(Nc1cc(Cl)cnc1C(=O)O)c1ccccc1
InChIInChI=1S/C13H9ClN2O3/c14-9-6-10(11(13(18)19)15-7-9)16-12(17)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyNBDLWABWFZUEPL-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.69
Rot. Bonds3

About 3-benzamido-5-chloropyridine-2-carboxylic acid

3-benzamido-5-chloropyridine-2-carboxylic acid (PubChem CID 162676309) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 3-benzamido-5-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-benzamido-5-chloropyridine-2-carboxylic acid
PubChem CID162676309
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name3-benzamido-5-chloropyridine-2-carboxylic acid
SMILESO=C(Nc1cc(Cl)cnc1C(=O)O)c1ccccc1
InChIInChI=1S/C13H9ClN2O3/c14-9-6-10(11(13(18)19)15-7-9)16-12(17)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyNBDLWABWFZUEPL-UHFFFAOYSA-N
XLogP2.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-chloropyridine-2-carboxylic acid?
The IUPAC name of 3-benzamido-5-chloropyridine-2-carboxylic acid (CID 162676309) is 3-benzamido-5-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 3-benzamido-5-chloropyridine-2-carboxylic acid?
The canonical SMILES for 3-benzamido-5-chloropyridine-2-carboxylic acid is O=C(Nc1cc(Cl)cnc1C(=O)O)c1ccccc1.
What is the InChIKey of 3-benzamido-5-chloropyridine-2-carboxylic acid?
The InChIKey is NBDLWABWFZUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-6-10(11(13(18)19)15-7-9)16-12(17)8-4-2-1-3-5-8/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 3-benzamido-5-chloropyridine-2-carboxylic acid?
3-benzamido-5-chloropyridine-2-carboxylic acid has a molecular weight of 276.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 162676309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).