3-pyrrolidin-2-ylpyridine-4-carboxylic acid

C10H12N2O2 — CID 55295568

IUPAC3-pyrrolidin-2-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1C1CCCN1
InChIInChI=1S/C10H12N2O2/c13-10(14)7-3-5-11-6-8(7)9-2-1-4-12-9/h3,5-6,9,12H,1-2,4H2,(H,13,14)
InChIKeyPLCWXKXDPOFHLA-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.20
Rot. Bonds2

About 3-pyrrolidin-2-ylpyridine-4-carboxylic acid

3-pyrrolidin-2-ylpyridine-4-carboxylic acid (PubChem CID 55295568) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-2-ylpyridine-4-carboxylic acid
PubChem CID55295568
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-pyrrolidin-2-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1C1CCCN1
InChIInChI=1S/C10H12N2O2/c13-10(14)7-3-5-11-6-8(7)9-2-1-4-12-9/h3,5-6,9,12H,1-2,4H2,(H,13,14)
InChIKeyPLCWXKXDPOFHLA-UHFFFAOYSA-N
XLogP1.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylpyridine-4-carboxylic acid?
The IUPAC name of 3-pyrrolidin-2-ylpyridine-4-carboxylic acid (CID 55295568) is 3-pyrrolidin-2-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-pyrrolidin-2-ylpyridine-4-carboxylic acid?
The canonical SMILES for 3-pyrrolidin-2-ylpyridine-4-carboxylic acid is O=C(O)c1ccncc1C1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-ylpyridine-4-carboxylic acid?
The InChIKey is PLCWXKXDPOFHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)7-3-5-11-6-8(7)9-2-1-4-12-9/h3,5-6,9,12H,1-2,4H2,(H,13,14).
What are the key properties of 3-pyrrolidin-2-ylpyridine-4-carboxylic acid?
3-pyrrolidin-2-ylpyridine-4-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 55295568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).