3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid

C14H18N2O8 — CID 159143425

IUPAC3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
SMILESCN1CCCC1c1cccnc1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C10H14N2.2C2H2O4/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*3-1(4)2(5)6/h2,4,6,8,10H,3,5,7H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyKIJMHJOKXPEMPI-UHFFFAOYSA-N
MW342.30 g/mol
LogP0.16
Rot. Bonds1

About 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid

3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid (PubChem CID 159143425) has the molecular formula C14H18N2O8 and a molecular weight of 342.30 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
PubChem CID159143425
Molecular FormulaC14H18N2O8
Molecular Weight342.30 g/mol
Exact Mass342.11
IUPAC Name3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
SMILESCN1CCCC1c1cccnc1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C10H14N2.2C2H2O4/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*3-1(4)2(5)6/h2,4,6,8,10H,3,5,7H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyKIJMHJOKXPEMPI-UHFFFAOYSA-N
XLogP0.16
TPSA165.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
2,2-dimethylpropanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 138734026
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid (CID 159143425) is 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid is CN1CCCC1c1cccnc1.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid?
The InChIKey is KIJMHJOKXPEMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2C2H2O4/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*3-1(4)2(5)6/h2,4,6,8,10H,3,5,7H2,1H3;2*(H,3,4)(H,5,6).
What are the key properties of 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid?
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid has a molecular weight of 342.30 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid is sourced from PubChem (CID 159143425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).