6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde

C10H12N2O — CID 20825854

IUPAC6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde
SMILESCN1CCc2nc(C=O)ccc2C1
InChIInChI=1S/C10H12N2O/c1-12-5-4-10-8(6-12)2-3-9(7-13)11-10/h2-3,7H,4-6H2,1H3
InChIKeyGXPYPDSLLNBJDQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.88
Rot. Bonds1

About 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde

6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde (PubChem CID 20825854) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde
PubChem CID20825854
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde
SMILESCN1CCc2nc(C=O)ccc2C1
InChIInChI=1S/C10H12N2O/c1-12-5-4-10-8(6-12)2-3-9(7-13)11-10/h2-3,7H,4-6H2,1H3
InChIKeyGXPYPDSLLNBJDQ-UHFFFAOYSA-N
XLogP0.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
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 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde (CID 20825854) is 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde is CN1CCc2nc(C=O)ccc2C1.
What is the InChIKey of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde?
The InChIKey is GXPYPDSLLNBJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12-5-4-10-8(6-12)2-3-9(7-13)11-10/h2-3,7H,4-6H2,1H3.
What are the key properties of 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde?
6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 20825854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).