2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde

C10H14N2O — CID 102545901

IUPAC2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
SMILESCc1nc(NC(C)C)ccc1C=O
InChIInChI=1S/C10H14N2O/c1-7(2)11-10-5-4-9(6-13)8(3)12-10/h4-7H,1-3H3,(H,11,12)
InChIKeyIHKLQZAESWPQEE-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde

2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde (PubChem CID 102545901) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
PubChem CID102545901
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
SMILESCc1nc(NC(C)C)ccc1C=O
InChIInChI=1S/C10H14N2O/c1-7(2)11-10-5-4-9(6-13)8(3)12-10/h4-7H,1-3H3,(H,11,12)
InChIKeyIHKLQZAESWPQEE-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.02
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 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde (CID 102545901) is 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde is Cc1nc(NC(C)C)ccc1C=O.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
The InChIKey is IHKLQZAESWPQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)11-10-5-4-9(6-13)8(3)12-10/h4-7H,1-3H3,(H,11,12).
What are the key properties of 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 102545901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).