5-bromo-3-chloro-1,6-naphthyridine

C8H4BrClN2 — CID 135397069

IUPAC5-bromo-3-chloro-1,6-naphthyridine
SMILESClc1cnc2ccnc(Br)c2c1
InChIInChI=1S/C8H4BrClN2/c9-8-6-3-5(10)4-12-7(6)1-2-11-8/h1-4H
InChIKeyUNTZBRVMAOPMKP-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 5-bromo-3-chloro-1,6-naphthyridine

5-bromo-3-chloro-1,6-naphthyridine (PubChem CID 135397069) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-1,6-naphthyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-1,6-naphthyridine
PubChem CID135397069
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name5-bromo-3-chloro-1,6-naphthyridine
SMILESClc1cnc2ccnc(Br)c2c1
InChIInChI=1S/C8H4BrClN2/c9-8-6-3-5(10)4-12-7(6)1-2-11-8/h1-4H
InChIKeyUNTZBRVMAOPMKP-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 5-bromo-3-chloro-1,6-naphthyridine?
The IUPAC name of 5-bromo-3-chloro-1,6-naphthyridine (CID 135397069) is 5-bromo-3-chloro-1,6-naphthyridine.
What is the SMILES notation for 5-bromo-3-chloro-1,6-naphthyridine?
The canonical SMILES for 5-bromo-3-chloro-1,6-naphthyridine is Clc1cnc2ccnc(Br)c2c1.
What is the InChIKey of 5-bromo-3-chloro-1,6-naphthyridine?
The InChIKey is UNTZBRVMAOPMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-8-6-3-5(10)4-12-7(6)1-2-11-8/h1-4H.
What are the key properties of 5-bromo-3-chloro-1,6-naphthyridine?
5-bromo-3-chloro-1,6-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 5-bromo-3-chloro-1,6-naphthyridine is sourced from PubChem (CID 135397069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).