(2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde

C19H18FNO2 — CID 102409546

IUPAC(2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde
SMILESCOc1ccc(N2C=CC[C@H](C=O)[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C19H18FNO2/c1-23-16-10-8-15(9-11-16)21-12-4-5-14(13-22)19(21)17-6-2-3-7-18(17)20/h2-4,6-14,19H,5H2,1H3/t14-,19+/m1/s1
InChIKeyJHIXWOOASKYCMG-KUHUBIRLSA-N
MW311.36 g/mol
LogP4.11
Rot. Bonds4

About (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde

(2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde (PubChem CID 102409546) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde
PubChem CID102409546
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde
SMILESCOc1ccc(N2C=CC[C@H](C=O)[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C19H18FNO2/c1-23-16-10-8-15(9-11-16)21-12-4-5-14(13-22)19(21)17-6-2-3-7-18(17)20/h2-4,6-14,19H,5H2,1H3/t14-,19+/m1/s1
InChIKeyJHIXWOOASKYCMG-KUHUBIRLSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde 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,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
The IUPAC name of (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde (CID 102409546) is (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
The canonical SMILES for (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde is COc1ccc(N2C=CC[C@H](C=O)[C@H]2c2ccccc2F)cc1.
What is the InChIKey of (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
The InChIKey is JHIXWOOASKYCMG-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-23-16-10-8-15(9-11-16)21-12-4-5-14(13-22)19(21)17-6-2-3-7-18(17)20/h2-4,6-14,19H,5H2,1H3/t14-,19+/m1/s1.
What are the key properties of (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
(2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde has a molecular weight of 311.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 102409546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).