2-methyl-1,6-naphthyridine-5-carbaldehyde

C10H8N2O — CID 166034995

IUPAC2-methyl-1,6-naphthyridine-5-carbaldehyde
SMILESCc1ccc2c(C=O)nccc2n1
InChIInChI=1S/C10H8N2O/c1-7-2-3-8-9(12-7)4-5-11-10(8)6-13/h2-6H,1H3
InChIKeySLEYAEWLJZXIPV-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.75
Rot. Bonds1

About 2-methyl-1,6-naphthyridine-5-carbaldehyde

2-methyl-1,6-naphthyridine-5-carbaldehyde (PubChem CID 166034995) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-methyl-1,6-naphthyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1,6-naphthyridine-5-carbaldehyde
PubChem CID166034995
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-methyl-1,6-naphthyridine-5-carbaldehyde
SMILESCc1ccc2c(C=O)nccc2n1
InChIInChI=1S/C10H8N2O/c1-7-2-3-8-9(12-7)4-5-11-10(8)6-13/h2-6H,1H3
InChIKeySLEYAEWLJZXIPV-UHFFFAOYSA-N
XLogP1.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.75
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 2-methyl-1,6-naphthyridine-5-carbaldehyde?
The IUPAC name of 2-methyl-1,6-naphthyridine-5-carbaldehyde (CID 166034995) is 2-methyl-1,6-naphthyridine-5-carbaldehyde.
What is the SMILES notation for 2-methyl-1,6-naphthyridine-5-carbaldehyde?
The canonical SMILES for 2-methyl-1,6-naphthyridine-5-carbaldehyde is Cc1ccc2c(C=O)nccc2n1.
What is the InChIKey of 2-methyl-1,6-naphthyridine-5-carbaldehyde?
The InChIKey is SLEYAEWLJZXIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-7-2-3-8-9(12-7)4-5-11-10(8)6-13/h2-6H,1H3.
What are the key properties of 2-methyl-1,6-naphthyridine-5-carbaldehyde?
2-methyl-1,6-naphthyridine-5-carbaldehyde has a molecular weight of 172.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,6-naphthyridine-5-carbaldehyde is sourced from PubChem (CID 166034995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).