2-pyrrolidin-1-ylpyridine-4-carboxylic acid

C10H12N2O2 — CID 6484236

IUPAC2-pyrrolidin-1-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyPQLHQGBNMJTAEH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.38
Rot. Bonds2

About 2-pyrrolidin-1-ylpyridine-4-carboxylic acid

2-pyrrolidin-1-ylpyridine-4-carboxylic acid (PubChem CID 6484236) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyridine-4-carboxylic acid
PubChem CID6484236
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-pyrrolidin-1-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyPQLHQGBNMJTAEH-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 2-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-pyrrolidin-1-ylpyridine-4-carboxylic acid (CID 6484236) is 2-pyrrolidin-1-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-1-ylpyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CCCC2)c1.
What is the InChIKey of 2-pyrrolidin-1-ylpyridine-4-carboxylic acid?
The InChIKey is PQLHQGBNMJTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14).
What are the key properties of 2-pyrrolidin-1-ylpyridine-4-carboxylic acid?
2-pyrrolidin-1-ylpyridine-4-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 2-pyrrolidin-1-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 6484236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).