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

C19H18FNO2 — CID 135065074

IUPAC(2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde
SMILESCOc1ccc(N2C=CC[C@H](C=O)[C@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C19H18FNO2/c1-23-18-9-7-17(8-10-18)21-11-3-5-15(13-22)19(21)14-4-2-6-16(20)12-14/h2-4,6-13,15,19H,5H2,1H3/t15-,19-/m1/s1
InChIKeyRWJSHLDRPQTEOY-DNVCBOLYSA-N
MW311.36 g/mol
LogP4.11
Rot. Bonds4

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

(2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde (PubChem CID 135065074) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name(2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde
PubChem CID135065074
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde
SMILESCOc1ccc(N2C=CC[C@H](C=O)[C@H]2c2cccc(F)c2)cc1
InChIInChI=1S/C19H18FNO2/c1-23-18-9-7-17(8-10-18)21-11-3-5-15(13-22)19(21)14-4-2-6-16(20)12-14/h2-4,6-13,15,19H,5H2,1H3/t15-,19-/m1/s1
InChIKeyRWJSHLDRPQTEOY-DNVCBOLYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
The IUPAC name of (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde (CID 135065074) is (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
The canonical SMILES for (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde is COc1ccc(N2C=CC[C@H](C=O)[C@H]2c2cccc(F)c2)cc1.
What is the InChIKey of (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
The InChIKey is RWJSHLDRPQTEOY-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-23-18-9-7-17(8-10-18)21-11-3-5-15(13-22)19(21)14-4-2-6-16(20)12-14/h2-4,6-13,15,19H,5H2,1H3/t15-,19-/m1/s1.
What are the key properties of (2S,3S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde?
(2S,3S)-2-(3-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-(3-fluorophenyl)-1-(4-methoxyphenyl)-3,4-dihydro-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 135065074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).