(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid

C8H10FNO4 — CID 69350167

IUPAC(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESO=C(O)C1=CCN(C(=O)O)[C@H](CF)C1
InChIInChI=1S/C8H10FNO4/c9-4-6-3-5(7(11)12)1-2-10(6)8(13)14/h1,6H,2-4H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyAVJRTRQSZYPMRX-LURJTMIESA-N
MW203.17 g/mol
LogP0.72
Rot. Bonds2

About (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid

(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (PubChem CID 69350167) has the molecular formula C8H10FNO4 and a molecular weight of 203.17 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
PubChem CID69350167
Molecular FormulaC8H10FNO4
Molecular Weight203.17 g/mol
Exact Mass203.06
IUPAC Name(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
SMILESO=C(O)C1=CCN(C(=O)O)[C@H](CF)C1
InChIInChI=1S/C8H10FNO4/c9-4-6-3-5(7(11)12)1-2-10(6)8(13)14/h1,6H,2-4H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyAVJRTRQSZYPMRX-LURJTMIESA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The IUPAC name of (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid (CID 69350167) is (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid.
What is the SMILES notation for (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The canonical SMILES for (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is O=C(O)C1=CCN(C(=O)O)[C@H](CF)C1.
What is the InChIKey of (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
The InChIKey is AVJRTRQSZYPMRX-LURJTMIESA-N. The full InChI is InChI=1S/C8H10FNO4/c9-4-6-3-5(7(11)12)1-2-10(6)8(13)14/h1,6H,2-4H2,(H,11,12)(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid?
(2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid has a molecular weight of 203.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid is sourced from PubChem (CID 69350167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).