2,8-dichloro-1,5-naphthyridine

C8H4Cl2N2 — CID 607747

IUPAC2,8-dichloro-1,5-naphthyridine
SMILESClc1ccc2nccc(Cl)c2n1
InChIInChI=1S/C8H4Cl2N2/c9-5-3-4-11-6-1-2-7(10)12-8(5)6/h1-4H
InChIKeyPSSPSOSBJIWVGU-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.94
Rot. Bonds

About 2,8-dichloro-1,5-naphthyridine

2,8-dichloro-1,5-naphthyridine (PubChem CID 607747) has the molecular formula C8H4Cl2N2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 2,8-dichloro-1,5-naphthyridine.

Molecular Properties

Compound Name2,8-dichloro-1,5-naphthyridine
PubChem CID607747
Molecular FormulaC8H4Cl2N2
Molecular Weight199.04 g/mol
Exact Mass197.98
IUPAC Name2,8-dichloro-1,5-naphthyridine
SMILESClc1ccc2nccc(Cl)c2n1
InChIInChI=1S/C8H4Cl2N2/c9-5-3-4-11-6-1-2-7(10)12-8(5)6/h1-4H
InChIKeyPSSPSOSBJIWVGU-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.94
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 2,8-dichloro-1,5-naphthyridine?
The IUPAC name of 2,8-dichloro-1,5-naphthyridine (CID 607747) is 2,8-dichloro-1,5-naphthyridine.
What is the SMILES notation for 2,8-dichloro-1,5-naphthyridine?
The canonical SMILES for 2,8-dichloro-1,5-naphthyridine is Clc1ccc2nccc(Cl)c2n1.
What is the InChIKey of 2,8-dichloro-1,5-naphthyridine?
The InChIKey is PSSPSOSBJIWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2/c9-5-3-4-11-6-1-2-7(10)12-8(5)6/h1-4H.
What are the key properties of 2,8-dichloro-1,5-naphthyridine?
2,8-dichloro-1,5-naphthyridine has a molecular weight of 199.04 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-1,5-naphthyridine is sourced from PubChem (CID 607747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).