4-bromo-1,6-dichloro-2,7-naphthyridine

C8H3BrCl2N2 — CID 134830478

IUPAC4-bromo-1,6-dichloro-2,7-naphthyridine
SMILESClc1cc2c(Br)cnc(Cl)c2cn1
InChIInChI=1S/C8H3BrCl2N2/c9-6-3-13-8(11)5-2-12-7(10)1-4(5)6/h1-3H
InChIKeyWGTUNZACEMJZBT-UHFFFAOYSA-N
MW277.94 g/mol
LogP3.70
Rot. Bonds

About 4-bromo-1,6-dichloro-2,7-naphthyridine

4-bromo-1,6-dichloro-2,7-naphthyridine (PubChem CID 134830478) has the molecular formula C8H3BrCl2N2 and a molecular weight of 277.94 g/mol. Its IUPAC name is 4-bromo-1,6-dichloro-2,7-naphthyridine.

Molecular Properties

Compound Name4-bromo-1,6-dichloro-2,7-naphthyridine
PubChem CID134830478
Molecular FormulaC8H3BrCl2N2
Molecular Weight277.94 g/mol
Exact Mass275.89
IUPAC Name4-bromo-1,6-dichloro-2,7-naphthyridine
SMILESClc1cc2c(Br)cnc(Cl)c2cn1
InChIInChI=1S/C8H3BrCl2N2/c9-6-3-13-8(11)5-2-12-7(10)1-4(5)6/h1-3H
InChIKeyWGTUNZACEMJZBT-UHFFFAOYSA-N
XLogP3.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.94
LogP ≤ 53.70
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 4-bromo-1,6-dichloro-2,7-naphthyridine?
The IUPAC name of 4-bromo-1,6-dichloro-2,7-naphthyridine (CID 134830478) is 4-bromo-1,6-dichloro-2,7-naphthyridine.
What is the SMILES notation for 4-bromo-1,6-dichloro-2,7-naphthyridine?
The canonical SMILES for 4-bromo-1,6-dichloro-2,7-naphthyridine is Clc1cc2c(Br)cnc(Cl)c2cn1.
What is the InChIKey of 4-bromo-1,6-dichloro-2,7-naphthyridine?
The InChIKey is WGTUNZACEMJZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2/c9-6-3-13-8(11)5-2-12-7(10)1-4(5)6/h1-3H.
What are the key properties of 4-bromo-1,6-dichloro-2,7-naphthyridine?
4-bromo-1,6-dichloro-2,7-naphthyridine has a molecular weight of 277.94 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,6-dichloro-2,7-naphthyridine is sourced from PubChem (CID 134830478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).