3-amino-6-methylpyridine-2-carbaldehyde

C7H8N2O — CID 55290763

IUPAC3-amino-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(N)c(C=O)n1
InChIInChI=1S/C7H8N2O/c1-5-2-3-6(8)7(4-10)9-5/h2-4H,8H2,1H3
InChIKeyZDNMZQMCAJQPMQ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.78
Rot. Bonds1

About 3-amino-6-methylpyridine-2-carbaldehyde

3-amino-6-methylpyridine-2-carbaldehyde (PubChem CID 55290763) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3-amino-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-6-methylpyridine-2-carbaldehyde
PubChem CID55290763
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3-amino-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(N)c(C=O)n1
InChIInChI=1S/C7H8N2O/c1-5-2-3-6(8)7(4-10)9-5/h2-4H,8H2,1H3
InChIKeyZDNMZQMCAJQPMQ-UHFFFAOYSA-N
XLogP0.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-amino-6-methylpyridine-2-carbaldehyde (CID 55290763) is 3-amino-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-6-methylpyridine-2-carbaldehyde is Cc1ccc(N)c(C=O)n1.
What is the InChIKey of 3-amino-6-methylpyridine-2-carbaldehyde?
The InChIKey is ZDNMZQMCAJQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-5-2-3-6(8)7(4-10)9-5/h2-4H,8H2,1H3.
What are the key properties of 3-amino-6-methylpyridine-2-carbaldehyde?
3-amino-6-methylpyridine-2-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 55290763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).