8-bromo-2-chloro-7-methoxy-1,6-naphthyridine

C9H6BrClN2O — CID 139536254

IUPAC8-bromo-2-chloro-7-methoxy-1,6-naphthyridine
SMILESCOc1ncc2ccc(Cl)nc2c1Br
InChIInChI=1S/C9H6BrClN2O/c1-14-9-7(10)8-5(4-12-9)2-3-6(11)13-8/h2-4H,1H3
InChIKeyRQDSEIDNPKISNT-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.05
Rot. Bonds1

About 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine

8-bromo-2-chloro-7-methoxy-1,6-naphthyridine (PubChem CID 139536254) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine.

Molecular Properties

Compound Name8-bromo-2-chloro-7-methoxy-1,6-naphthyridine
PubChem CID139536254
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name8-bromo-2-chloro-7-methoxy-1,6-naphthyridine
SMILESCOc1ncc2ccc(Cl)nc2c1Br
InChIInChI=1S/C9H6BrClN2O/c1-14-9-7(10)8-5(4-12-9)2-3-6(11)13-8/h2-4H,1H3
InChIKeyRQDSEIDNPKISNT-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine?
The IUPAC name of 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine (CID 139536254) is 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine.
What is the SMILES notation for 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine?
The canonical SMILES for 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine is COc1ncc2ccc(Cl)nc2c1Br.
What is the InChIKey of 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine?
The InChIKey is RQDSEIDNPKISNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-14-9-7(10)8-5(4-12-9)2-3-6(11)13-8/h2-4H,1H3.
What are the key properties of 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine?
8-bromo-2-chloro-7-methoxy-1,6-naphthyridine has a molecular weight of 273.52 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-7-methoxy-1,6-naphthyridine is sourced from PubChem (CID 139536254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).