7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline

C14H8BrClN2O — CID 107314450

IUPAC7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
SMILESClc1cnc(Oc2ccc3cccnc3c2)c(Br)c1
InChIInChI=1S/C14H8BrClN2O/c15-12-6-10(16)8-18-14(12)19-11-4-3-9-2-1-5-17-13(9)7-11/h1-8H
InChIKeySKDNCCNUJBQNFM-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.84
Rot. Bonds2

About 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline

7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline (PubChem CID 107314450) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline.

Molecular Properties

Compound Name7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
PubChem CID107314450
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC Name7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
SMILESClc1cnc(Oc2ccc3cccnc3c2)c(Br)c1
InChIInChI=1S/C14H8BrClN2O/c15-12-6-10(16)8-18-14(12)19-11-4-3-9-2-1-5-17-13(9)7-11/h1-8H
InChIKeySKDNCCNUJBQNFM-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
The IUPAC name of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline (CID 107314450) is 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline.
What is the SMILES notation for 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
The canonical SMILES for 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline is Clc1cnc(Oc2ccc3cccnc3c2)c(Br)c1.
What is the InChIKey of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
The InChIKey is SKDNCCNUJBQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-12-6-10(16)8-18-14(12)19-11-4-3-9-2-1-5-17-13(9)7-11/h1-8H.
What are the key properties of 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline?
7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline has a molecular weight of 335.59 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline is sourced from PubChem (CID 107314450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).