1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine

C11H9BrClN3O — CID 165117927

IUPAC1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine
SMILESClc1cc2c(Br)cnc(OC3CNC3)c2cn1
InChIInChI=1S/C11H9BrClN3O/c12-9-5-16-11(17-6-2-14-3-6)8-4-15-10(13)1-7(8)9/h1,4-6,14H,2-3H2
InChIKeySVPKNVCTQGAXAO-UHFFFAOYSA-N
MW314.57 g/mol
LogP2.40
Rot. Bonds2

About 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine

1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine (PubChem CID 165117927) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine.

Molecular Properties

Compound Name1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine
PubChem CID165117927
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC Name1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine
SMILESClc1cc2c(Br)cnc(OC3CNC3)c2cn1
InChIInChI=1S/C11H9BrClN3O/c12-9-5-16-11(17-6-2-14-3-6)8-4-15-10(13)1-7(8)9/h1,4-6,14H,2-3H2
InChIKeySVPKNVCTQGAXAO-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine?
The IUPAC name of 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine (CID 165117927) is 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine.
What is the SMILES notation for 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine?
The canonical SMILES for 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine is Clc1cc2c(Br)cnc(OC3CNC3)c2cn1.
What is the InChIKey of 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine?
The InChIKey is SVPKNVCTQGAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c12-9-5-16-11(17-6-2-14-3-6)8-4-15-10(13)1-7(8)9/h1,4-6,14H,2-3H2.
What are the key properties of 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine?
1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine has a molecular weight of 314.57 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yloxy)-4-bromo-6-chloro-2,7-naphthyridine is sourced from PubChem (CID 165117927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).