3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid

C14H19FN2O4 — CID 67821205

IUPAC3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid
SMILESCC1C(CF)CN(C)[C@@H]1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C12H17FN2.C2H2O4/c1-9-11(6-13)8-15(2)12(9)10-4-3-5-14-7-10;3-1(4)2(5)6/h3-5,7,9,11-12H,6,8H2,1-2H3;(H,3,4)(H,5,6)/t9?,11?,12-;/m0./s1
InChIKeyRJHFYPVKLCEXMR-QOSDCQGYSA-N
MW298.31 g/mol
LogP1.45
Rot. Bonds2

About 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid

3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid (PubChem CID 67821205) has the molecular formula C14H19FN2O4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid.

Molecular Properties

Compound Name3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid
PubChem CID67821205
Molecular FormulaC14H19FN2O4
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid
SMILESCC1C(CF)CN(C)[C@@H]1c1cccnc1.O=C(O)C(=O)O
InChIInChI=1S/C12H17FN2.C2H2O4/c1-9-11(6-13)8-15(2)12(9)10-4-3-5-14-7-10;3-1(4)2(5)6/h3-5,7,9,11-12H,6,8H2,1-2H3;(H,3,4)(H,5,6)/t9?,11?,12-;/m0./s1
InChIKeyRJHFYPVKLCEXMR-QOSDCQGYSA-N
XLogP1.45
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxalic acid;3-[(2S)-1,3,4-trimethylpyrrolidin-2-yl]pyridine
CID 67821215
3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
CID 19105223
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
1-methyl-2-pyridin-3-ylazetidin-3-one;oxalic acid
CID 69430460
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
2-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetic acid
CID 96597128
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 11819953
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
(2R,3R,4R)-1-methyl-2-pyridin-3-ylpyrrolidine-3,4-dicarbonitrile
CID 90467844

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid?
The IUPAC name of 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid (CID 67821205) is 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid.
What is the SMILES notation for 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid?
The canonical SMILES for 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid is CC1C(CF)CN(C)[C@@H]1c1cccnc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid?
The InChIKey is RJHFYPVKLCEXMR-QOSDCQGYSA-N. The full InChI is InChI=1S/C12H17FN2.C2H2O4/c1-9-11(6-13)8-15(2)12(9)10-4-3-5-14-7-10;3-1(4)2(5)6/h3-5,7,9,11-12H,6,8H2,1-2H3;(H,3,4)(H,5,6)/t9?,11?,12-;/m0./s1.
What are the key properties of 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid?
3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid has a molecular weight of 298.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid is sourced from PubChem (CID 67821205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).