3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid

C13H17FN2O4 — CID 19105223

IUPAC3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
SMILESCN1C(CF)CCC1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C11H15FN2.C2H2O4/c1-14-10(7-12)4-5-11(14)9-3-2-6-13-8-9;3-1(4)2(5)6/h2-3,6,8,10-11H,4-5,7H2,1H3;(H,3,4)(H,5,6)
InChIKeyVEUFIDJVDBNTMH-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.34
Rot. Bonds2

About 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid

3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid (PubChem CID 19105223) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
PubChem CID19105223
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
SMILESCN1C(CF)CCC1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C11H15FN2.C2H2O4/c1-14-10(7-12)4-5-11(14)9-3-2-6-13-8-9;3-1(4)2(5)6/h2-3,6,8,10-11H,4-5,7H2,1H3;(H,3,4)(H,5,6)
InChIKeyVEUFIDJVDBNTMH-UHFFFAOYSA-N
XLogP1.34
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid
CID 67821205
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
2,2-dimethylpropanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 138734026
(2S)-2-aminobutanedioic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51039475
(3S)-3-aminopropane-1,1,3-tricarboxylic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159072070
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
CID 21124107

Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid?
The IUPAC name of 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid (CID 19105223) is 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid.
What is the SMILES notation for 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid?
The canonical SMILES for 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid is CN1C(CF)CCC1c1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid?
The InChIKey is VEUFIDJVDBNTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2.C2H2O4/c1-14-10(7-12)4-5-11(14)9-3-2-6-13-8-9;3-1(4)2(5)6/h2-3,6,8,10-11H,4-5,7H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid?
3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid has a molecular weight of 284.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid is sourced from PubChem (CID 19105223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).