5-pyrrolidin-2-ylpyridine-3-carbaldehyde

C10H12N2O — CID 123459636

IUPAC5-pyrrolidin-2-ylpyridine-3-carbaldehyde
SMILESO=Cc1cncc(C2CCCN2)c1
InChIInChI=1S/C10H12N2O/c13-7-8-4-9(6-11-5-8)10-2-1-3-12-10/h4-7,10,12H,1-3H2
InChIKeyNNUMXIZBNPKUMY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.32
Rot. Bonds2

About 5-pyrrolidin-2-ylpyridine-3-carbaldehyde

5-pyrrolidin-2-ylpyridine-3-carbaldehyde (PubChem CID 123459636) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-pyrrolidin-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-pyrrolidin-2-ylpyridine-3-carbaldehyde
PubChem CID123459636
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-pyrrolidin-2-ylpyridine-3-carbaldehyde
SMILESO=Cc1cncc(C2CCCN2)c1
InChIInChI=1S/C10H12N2O/c13-7-8-4-9(6-11-5-8)10-2-1-3-12-10/h4-7,10,12H,1-3H2
InChIKeyNNUMXIZBNPKUMY-UHFFFAOYSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
5-cyclohexylpyridine-3-carbaldehyde
CID 82404419
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
CID 163261196
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
CID 122198515
3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]prop-2-ynoic acid
CID 131871135
3-[(2S)-piperidin-2-yl]-5-(trifluoromethyl)pyridine
CID 131397807

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 5-pyrrolidin-2-ylpyridine-3-carbaldehyde (CID 123459636) is 5-pyrrolidin-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-pyrrolidin-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 5-pyrrolidin-2-ylpyridine-3-carbaldehyde is O=Cc1cncc(C2CCCN2)c1.
What is the InChIKey of 5-pyrrolidin-2-ylpyridine-3-carbaldehyde?
The InChIKey is NNUMXIZBNPKUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-7-8-4-9(6-11-5-8)10-2-1-3-12-10/h4-7,10,12H,1-3H2.
What are the key properties of 5-pyrrolidin-2-ylpyridine-3-carbaldehyde?
5-pyrrolidin-2-ylpyridine-3-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 123459636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).