oxalic acid;3-pyrrolidin-2-ylpyridine

C11H14N2O4 — CID 45156454

IUPACoxalic acid;3-pyrrolidin-2-ylpyridine
SMILESO=C(O)C(=O)O.c1cncc(C2CCCN2)c1
InChIInChI=1S/C9H12N2.C2H2O4/c1-3-8(7-10-5-1)9-4-2-6-11-9;3-1(4)2(5)6/h1,3,5,7,9,11H,2,4,6H2;(H,3,4)(H,5,6)
InChIKeyRZWPCSUSDGUGRC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.66
Rot. Bonds1

About oxalic acid;3-pyrrolidin-2-ylpyridine

oxalic acid;3-pyrrolidin-2-ylpyridine (PubChem CID 45156454) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is oxalic acid;3-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Nameoxalic acid;3-pyrrolidin-2-ylpyridine
PubChem CID45156454
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameoxalic acid;3-pyrrolidin-2-ylpyridine
SMILESO=C(O)C(=O)O.c1cncc(C2CCCN2)c1
InChIInChI=1S/C9H12N2.C2H2O4/c1-3-8(7-10-5-1)9-4-2-6-11-9;3-1(4)2(5)6/h1,3,5,7,9,11H,2,4,6H2;(H,3,4)(H,5,6)
InChIKeyRZWPCSUSDGUGRC-UHFFFAOYSA-N
XLogP0.66
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 175134059
2-pyridin-3-ylpiperidine-3-carboxylic acid
CID 83916473
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
3-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
2-pyridin-3-yl-5-[(2S)-pyrrolidin-2-yl]pyrazine
CID 95846608
2-pyridin-3-ylpiperazine
CID 3872289
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of oxalic acid;3-pyrrolidin-2-ylpyridine?
The IUPAC name of oxalic acid;3-pyrrolidin-2-ylpyridine (CID 45156454) is oxalic acid;3-pyrrolidin-2-ylpyridine.
What is the SMILES notation for oxalic acid;3-pyrrolidin-2-ylpyridine?
The canonical SMILES for oxalic acid;3-pyrrolidin-2-ylpyridine is O=C(O)C(=O)O.c1cncc(C2CCCN2)c1.
What is the InChIKey of oxalic acid;3-pyrrolidin-2-ylpyridine?
The InChIKey is RZWPCSUSDGUGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H2O4/c1-3-8(7-10-5-1)9-4-2-6-11-9;3-1(4)2(5)6/h1,3,5,7,9,11H,2,4,6H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;3-pyrrolidin-2-ylpyridine?
oxalic acid;3-pyrrolidin-2-ylpyridine has a molecular weight of 238.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;3-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 45156454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).