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

C11H12N2O — CID 528365

IUPAC2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=CCC1c1cccnc1
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
InChIKeyIIXFXMGADSMCLR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.54
Rot. Bonds2

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

2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 528365) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID528365
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESO=CN1CC=CCC1c1cccnc1
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
InChIKeyIIXFXMGADSMCLR-UHFFFAOYSA-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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Related Compounds

formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175000566
3-(2-methyl-3,4-dihydropyrazol-3-yl)pyridine
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1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
2-pyridin-3-yl-3,6-dihydro-2H-thiopyran 1-oxide
CID 102174831
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
3-(5-pyridin-3-yl-4,5-dihydro-1,3-oxazol-4-yl)morpholine-4-carbaldehyde
CID 87854794

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 528365) is 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde is O=CN1CC=CCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is IIXFXMGADSMCLR-UHFFFAOYSA-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.
What are the key properties of 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
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 2-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 528365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).