6-pyrrolidin-1-ylpyridine-2-carboxylic acid

C10H12N2O2 — CID 23509740

IUPAC6-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC2)n1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)
InChIKeyHXPHLYQBFPDHNK-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.38
Rot. Bonds2

About 6-pyrrolidin-1-ylpyridine-2-carboxylic acid

6-pyrrolidin-1-ylpyridine-2-carboxylic acid (PubChem CID 23509740) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-pyrrolidin-1-ylpyridine-2-carboxylic acid
PubChem CID23509740
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC2)n1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)
InChIKeyHXPHLYQBFPDHNK-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-pyrrolidin-1-ylpyridine-2-carboxylic acid (CID 23509740) is 6-pyrrolidin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-pyrrolidin-1-ylpyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCCC2)n1.
What is the InChIKey of 6-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The InChIKey is HXPHLYQBFPDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14).
What are the key properties of 6-pyrrolidin-1-ylpyridine-2-carboxylic acid?
6-pyrrolidin-1-ylpyridine-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 23509740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).