8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

C14H12BrClN2O — CID 103582950

IUPAC8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)cnc1Oc1cccc2c1NCCC2
InChIInChI=1S/C14H12BrClN2O/c15-10-7-11(16)14(18-8-10)19-12-5-1-3-9-4-2-6-17-13(9)12/h1,3,5,7-8,17H,2,4,6H2
InChIKeyXSZHIIMGSHFDPN-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.65
Rot. Bonds2

About 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 103582950) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
PubChem CID103582950
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)cnc1Oc1cccc2c1NCCC2
InChIInChI=1S/C14H12BrClN2O/c15-10-7-11(16)14(18-8-10)19-12-5-1-3-9-4-2-6-17-13(9)12/h1,3,5,7-8,17H,2,4,6H2
InChIKeyXSZHIIMGSHFDPN-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
8-[(5-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 54907879
8-(2,4-dichlorophenoxy)-1,2,3,4-tetrahydroquinoline
CID 139601365
8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 62475365
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 107875268
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenol
CID 103582945
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 114599393

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (CID 103582950) is 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is Clc1cc(Br)cnc1Oc1cccc2c1NCCC2.
What is the InChIKey of 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is XSZHIIMGSHFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-10-7-11(16)14(18-8-10)19-12-5-1-3-9-4-2-6-17-13(9)12/h1,3,5,7-8,17H,2,4,6H2.
What are the key properties of 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 339.62 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103582950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).