6-pyrrolidin-1-ylpyridine-3-carbaldehyde

C10H12N2O — CID 2794775

IUPAC6-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKeyFFFAXGTZBUMKTI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.49
Rot. Bonds2

About 6-pyrrolidin-1-ylpyridine-3-carbaldehyde

6-pyrrolidin-1-ylpyridine-3-carbaldehyde (PubChem CID 2794775) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-pyrrolidin-1-ylpyridine-3-carbaldehyde
PubChem CID2794775
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKeyFFFAXGTZBUMKTI-UHFFFAOYSA-N
XLogP1.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinecarboxaldehyde
CID 10371
6-Aminonicotinamide
CID 9500
BI-RJ 70
CID 72347
2,5-Dimethyl-1-(4-methylpyridin-2-YL)-1H-pyrrole-3-carbaldehyde
CID 885302
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
N-2-Pyridinyl-3-pyridinecarboxamide
CID 83187
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
2-Aminopyridine-3-carboxamide
CID 506623
4-Hydroxypyrido (2,3-d)pyrimidine
CID 135440277
6-(Cyclopentylamino)pyridine-3-Carboxamide
CID 112722808
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
6-Morpholinonicotinamide
CID 260349

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-pyrrolidin-1-ylpyridine-3-carbaldehyde (CID 2794775) is 6-pyrrolidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-pyrrolidin-1-ylpyridine-3-carbaldehyde is O=Cc1ccc(N2CCCC2)nc1.
What is the InChIKey of 6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is FFFAXGTZBUMKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
6-pyrrolidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 2794775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).