6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

C11H12N2O3 — CID 43558255

IUPAC6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C11H12N2O3/c14-10(13-6-1-2-7-13)8-4-3-5-9(12-8)11(15)16/h3-5H,1-2,6-7H2,(H,15,16)
InChIKeyVHRINNVKMJWRHB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.02
Rot. Bonds2

About 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 43558255) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID43558255
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C11H12N2O3/c14-10(13-6-1-2-7-13)8-4-3-5-9(12-8)11(15)16/h3-5H,1-2,6-7H2,(H,15,16)
InChIKeyVHRINNVKMJWRHB-UHFFFAOYSA-N
XLogP1.02
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (CID 43558255) is 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is VHRINNVKMJWRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(13-6-1-2-7-13)8-4-3-5-9(12-8)11(15)16/h3-5H,1-2,6-7H2,(H,15,16).
What are the key properties of 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).