(2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde

C11H12N2O — CID 14241041

IUPAC(2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=CC[C@H]1c1cccnc1
InChIInChI=1S/C11H12N2O/c14-9-13-7-2-1-5-11(13)10-4-3-6-12-8-10/h1-4,6,8-9,11H,5,7H2/t11-/m0/s1
InChIKeyIIXFXMGADSMCLR-NSHDSACASA-N
MW188.23 g/mol
LogP1.54
Rot. Bonds2

About (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde

(2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 14241041) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID14241041
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=CC[C@H]1c1cccnc1
InChIInChI=1S/C11H12N2O/c14-9-13-7-2-1-5-11(13)10-4-3-6-12-8-10/h1-4,6,8-9,11H,5,7H2/t11-/m0/s1
InChIKeyIIXFXMGADSMCLR-NSHDSACASA-N
XLogP1.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 14241041) is (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CC=CC[C@H]1c1cccnc1.
What is the InChIKey of (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is IIXFXMGADSMCLR-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2O/c14-9-13-7-2-1-5-11(13)10-4-3-6-12-8-10/h1-4,6,8-9,11H,5,7H2/t11-/m0/s1.
What are the key properties of (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
(2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 14241041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).