2,3,5,7-tetrachloro-1,6-naphthyridine

C8H2Cl4N2 — CID 146012817

IUPAC2,3,5,7-tetrachloro-1,6-naphthyridine
SMILESClc1cc2nc(Cl)c(Cl)cc2c(Cl)n1
InChIInChI=1S/C8H2Cl4N2/c9-4-1-3-5(13-8(4)12)2-6(10)14-7(3)11/h1-2H
InChIKeyYYZZMGXCAASYPR-UHFFFAOYSA-N
MW267.93 g/mol
LogP4.24
Rot. Bonds

About 2,3,5,7-tetrachloro-1,6-naphthyridine

2,3,5,7-tetrachloro-1,6-naphthyridine (PubChem CID 146012817) has the molecular formula C8H2Cl4N2 and a molecular weight of 267.93 g/mol. Its IUPAC name is 2,3,5,7-tetrachloro-1,6-naphthyridine.

Molecular Properties

Compound Name2,3,5,7-tetrachloro-1,6-naphthyridine
PubChem CID146012817
Molecular FormulaC8H2Cl4N2
Molecular Weight267.93 g/mol
Exact Mass265.90
IUPAC Name2,3,5,7-tetrachloro-1,6-naphthyridine
SMILESClc1cc2nc(Cl)c(Cl)cc2c(Cl)n1
InChIInChI=1S/C8H2Cl4N2/c9-4-1-3-5(13-8(4)12)2-6(10)14-7(3)11/h1-2H
InChIKeyYYZZMGXCAASYPR-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.93
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrachloro-1,6-naphthyridine?
The IUPAC name of 2,3,5,7-tetrachloro-1,6-naphthyridine (CID 146012817) is 2,3,5,7-tetrachloro-1,6-naphthyridine.
What is the SMILES notation for 2,3,5,7-tetrachloro-1,6-naphthyridine?
The canonical SMILES for 2,3,5,7-tetrachloro-1,6-naphthyridine is Clc1cc2nc(Cl)c(Cl)cc2c(Cl)n1.
What is the InChIKey of 2,3,5,7-tetrachloro-1,6-naphthyridine?
The InChIKey is YYZZMGXCAASYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4N2/c9-4-1-3-5(13-8(4)12)2-6(10)14-7(3)11/h1-2H.
What are the key properties of 2,3,5,7-tetrachloro-1,6-naphthyridine?
2,3,5,7-tetrachloro-1,6-naphthyridine has a molecular weight of 267.93 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrachloro-1,6-naphthyridine is sourced from PubChem (CID 146012817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).