5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde

C9H12N2O2 — CID 55274198

IUPAC5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde
SMILESC[C@@](N)(CO)c1ccc(C=O)nc1
InChIInChI=1S/C9H12N2O2/c1-9(10,6-13)7-2-3-8(5-12)11-4-7/h2-5,13H,6,10H2,1H3/t9-/m1/s1
InChIKeyFCEPGDUTPZYYJS-SECBINFHSA-N
MW180.21 g/mol
LogP0.06
Rot. Bonds3

About 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde

5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde (PubChem CID 55274198) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde
PubChem CID55274198
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde
SMILESC[C@@](N)(CO)c1ccc(C=O)nc1
InChIInChI=1S/C9H12N2O2/c1-9(10,6-13)7-2-3-8(5-12)11-4-7/h2-5,13H,6,10H2,1H3/t9-/m1/s1
InChIKeyFCEPGDUTPZYYJS-SECBINFHSA-N
XLogP0.06
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde (CID 55274198) is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde is C[C@@](N)(CO)c1ccc(C=O)nc1.
What is the InChIKey of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde?
The InChIKey is FCEPGDUTPZYYJS-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(10,6-13)7-2-3-8(5-12)11-4-7/h2-5,13H,6,10H2,1H3/t9-/m1/s1.
What are the key properties of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde?
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 55274198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).