4-ethynyl-3-methoxy-2,7-naphthyridine

C11H8N2O — CID 167521241

IUPAC4-ethynyl-3-methoxy-2,7-naphthyridine
SMILESC#Cc1c(OC)ncc2cnccc12
InChIInChI=1S/C11H8N2O/c1-3-9-10-4-5-12-6-8(10)7-13-11(9)14-2/h1,4-7H,2H3
InChIKeyNOZPZQSKWQYDEZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.62
Rot. Bonds1

About 4-ethynyl-3-methoxy-2,7-naphthyridine

4-ethynyl-3-methoxy-2,7-naphthyridine (PubChem CID 167521241) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-ethynyl-3-methoxy-2,7-naphthyridine.

Molecular Properties

Compound Name4-ethynyl-3-methoxy-2,7-naphthyridine
PubChem CID167521241
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name4-ethynyl-3-methoxy-2,7-naphthyridine
SMILESC#Cc1c(OC)ncc2cnccc12
InChIInChI=1S/C11H8N2O/c1-3-9-10-4-5-12-6-8(10)7-13-11(9)14-2/h1,4-7H,2H3
InChIKeyNOZPZQSKWQYDEZ-UHFFFAOYSA-N
XLogP1.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-methoxy-2,7-naphthyridine?
The IUPAC name of 4-ethynyl-3-methoxy-2,7-naphthyridine (CID 167521241) is 4-ethynyl-3-methoxy-2,7-naphthyridine.
What is the SMILES notation for 4-ethynyl-3-methoxy-2,7-naphthyridine?
The canonical SMILES for 4-ethynyl-3-methoxy-2,7-naphthyridine is C#Cc1c(OC)ncc2cnccc12.
What is the InChIKey of 4-ethynyl-3-methoxy-2,7-naphthyridine?
The InChIKey is NOZPZQSKWQYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-3-9-10-4-5-12-6-8(10)7-13-11(9)14-2/h1,4-7H,2H3.
What are the key properties of 4-ethynyl-3-methoxy-2,7-naphthyridine?
4-ethynyl-3-methoxy-2,7-naphthyridine has a molecular weight of 184.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-methoxy-2,7-naphthyridine is sourced from PubChem (CID 167521241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).