5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid

C12H11N3O2 — CID 12640188

IUPAC5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C12H11N3O2/c16-12(17)11-5-4-10(8-15-11)14-7-9-3-1-2-6-13-9/h1-6,8,14H,7H2,(H,16,17)
InChIKeyXHJDIOWRMVCXMV-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.79
Rot. Bonds4

About 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid

5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid (PubChem CID 12640188) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid
PubChem CID12640188
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C12H11N3O2/c16-12(17)11-5-4-10(8-15-11)14-7-9-3-1-2-6-13-9/h1-6,8,14H,7H2,(H,16,17)
InChIKeyXHJDIOWRMVCXMV-UHFFFAOYSA-N
XLogP1.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid (CID 12640188) is 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is XHJDIOWRMVCXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)11-5-4-10(8-15-11)14-7-9-3-1-2-6-13-9/h1-6,8,14H,7H2,(H,16,17).
What are the key properties of 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid?
5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 12640188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).