2-bromo-8-chloro-1,5-naphthyridine

C8H4BrClN2 — CID 96880051

IUPAC2-bromo-8-chloro-1,5-naphthyridine
SMILESClc1ccnc2ccc(Br)nc12
InChIInChI=1S/C8H4BrClN2/c9-7-2-1-6-8(12-7)5(10)3-4-11-6/h1-4H
InChIKeyDYCFODZITDVHCL-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 2-bromo-8-chloro-1,5-naphthyridine

2-bromo-8-chloro-1,5-naphthyridine (PubChem CID 96880051) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 2-bromo-8-chloro-1,5-naphthyridine.

Molecular Properties

Compound Name2-bromo-8-chloro-1,5-naphthyridine
PubChem CID96880051
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name2-bromo-8-chloro-1,5-naphthyridine
SMILESClc1ccnc2ccc(Br)nc12
InChIInChI=1S/C8H4BrClN2/c9-7-2-1-6-8(12-7)5(10)3-4-11-6/h1-4H
InChIKeyDYCFODZITDVHCL-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.49
LogP ≤ 53.05
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-bromo-8-chloro-1,5-naphthyridine?
The IUPAC name of 2-bromo-8-chloro-1,5-naphthyridine (CID 96880051) is 2-bromo-8-chloro-1,5-naphthyridine.
What is the SMILES notation for 2-bromo-8-chloro-1,5-naphthyridine?
The canonical SMILES for 2-bromo-8-chloro-1,5-naphthyridine is Clc1ccnc2ccc(Br)nc12.
What is the InChIKey of 2-bromo-8-chloro-1,5-naphthyridine?
The InChIKey is DYCFODZITDVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-7-2-1-6-8(12-7)5(10)3-4-11-6/h1-4H.
What are the key properties of 2-bromo-8-chloro-1,5-naphthyridine?
2-bromo-8-chloro-1,5-naphthyridine has a molecular weight of 243.49 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-chloro-1,5-naphthyridine is sourced from PubChem (CID 96880051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).