5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde

C8H10N2O2 — CID 123368267

IUPAC5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde
SMILESNC(CO)c1cncc(C=O)c1
InChIInChI=1S/C8H10N2O2/c9-8(5-12)7-1-6(4-11)2-10-3-7/h1-4,8,12H,5,9H2
InChIKeyMQSOJBHNACPLPI-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.11
Rot. Bonds3

About 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde

5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde (PubChem CID 123368267) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde
PubChem CID123368267
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde
SMILESNC(CO)c1cncc(C=O)c1
InChIInChI=1S/C8H10N2O2/c9-8(5-12)7-1-6(4-11)2-10-3-7/h1-4,8,12H,5,9H2
InChIKeyMQSOJBHNACPLPI-UHFFFAOYSA-N
XLogP-0.11
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.11
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-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde (CID 123368267) is 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde is NC(CO)c1cncc(C=O)c1.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde?
The InChIKey is MQSOJBHNACPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-8(5-12)7-1-6(4-11)2-10-3-7/h1-4,8,12H,5,9H2.
What are the key properties of 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde?
5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 123368267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).