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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-bromo-6-chloro-2,7-naphthyridin-1-yl)oxy]azetidin-1-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 165117482
4-Bromo-6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridine
CID 166484182
6-Chloro-4-(1-ethoxyethenyl)-1-(2-fluoropropoxy)-2,7-naphthyridine
CID 166484285
4-Bromo-6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridine
CID 166484305
2-[6-Chloro-1-(3-fluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261425
2-[6-Chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261428
2-[6-Chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261585
4-Bromo-6-chloro-1-(2,2,2-trifluoroethoxy)-2,7-naphthyridine
CID 172189404
8-Chloro-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
CID 59577848
4-[2-[(8-Bromo-4-chloro-1,6-naphthyridin-7-yl)oxy]ethyl]morpholine
CID 124087526
4-[2-[(8-Bromo-4-chloro-1,6-naphthyridin-7-yl)oxy]propyl]morpholine
CID 124087544
8-Bromo-4-chloro-7-ethoxy-1,6-naphthyridine;morpholine
CID 134360719

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).