2-amino-5-tert-butylpyridine-3-carbaldehyde

C10H14N2O — CID 90244965

IUPAC2-amino-5-tert-butylpyridine-3-carbaldehyde
SMILESCC(C)(C)c1cnc(N)c(C=O)c1
InChIInChI=1S/C10H14N2O/c1-10(2,3)8-4-7(6-13)9(11)12-5-8/h4-6H,1-3H3,(H2,11,12)
InChIKeyGWOKFCAMRPOESB-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.77
Rot. Bonds1

About 2-amino-5-tert-butylpyridine-3-carbaldehyde

2-amino-5-tert-butylpyridine-3-carbaldehyde (PubChem CID 90244965) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-amino-5-tert-butylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-tert-butylpyridine-3-carbaldehyde
PubChem CID90244965
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-amino-5-tert-butylpyridine-3-carbaldehyde
SMILESCC(C)(C)c1cnc(N)c(C=O)c1
InChIInChI=1S/C10H14N2O/c1-10(2,3)8-4-7(6-13)9(11)12-5-8/h4-6H,1-3H3,(H2,11,12)
InChIKeyGWOKFCAMRPOESB-UHFFFAOYSA-N
XLogP1.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-tert-butylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butylpyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-tert-butylpyridine-3-carbaldehyde (CID 90244965) is 2-amino-5-tert-butylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-tert-butylpyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-tert-butylpyridine-3-carbaldehyde is CC(C)(C)c1cnc(N)c(C=O)c1.
What is the InChIKey of 2-amino-5-tert-butylpyridine-3-carbaldehyde?
The InChIKey is GWOKFCAMRPOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)8-4-7(6-13)9(11)12-5-8/h4-6H,1-3H3,(H2,11,12).
What are the key properties of 2-amino-5-tert-butylpyridine-3-carbaldehyde?
2-amino-5-tert-butylpyridine-3-carbaldehyde has a molecular weight of 178.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-tert-butylpyridine-3-carbaldehyde is sourced from PubChem (CID 90244965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).