6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde

C9H12N2O2 — CID 75539656

IUPAC6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde
SMILESCN(CCO)c1ccc(C=O)cn1
InChIInChI=1S/C9H12N2O2/c1-11(4-5-12)9-3-2-8(7-13)6-10-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyXHSKOYWRZGSNRU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.32
Rot. Bonds4

About 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde

6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde (PubChem CID 75539656) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde
PubChem CID75539656
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde
SMILESCN(CCO)c1ccc(C=O)cn1
InChIInChI=1S/C9H12N2O2/c1-11(4-5-12)9-3-2-8(7-13)6-10-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyXHSKOYWRZGSNRU-UHFFFAOYSA-N
XLogP0.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
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 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde (CID 75539656) is 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde is CN(CCO)c1ccc(C=O)cn1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde?
The InChIKey is XHSKOYWRZGSNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(4-5-12)9-3-2-8(7-13)6-10-9/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde?
6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde has a molecular weight of 180.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 75539656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).