5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine

C11H6BrClFNO — CID 103583572

IUPAC5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
SMILESFc1ccc(Oc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C11H6BrClFNO/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H
InChIKeySBBKPHKJPHXSCF-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.43
Rot. Bonds2

About 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine

5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine (PubChem CID 103583572) has the molecular formula C11H6BrClFNO and a molecular weight of 302.53 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
PubChem CID103583572
Molecular FormulaC11H6BrClFNO
Molecular Weight302.53 g/mol
Exact Mass300.93
IUPAC Name5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
SMILESFc1ccc(Oc2ncc(Br)cc2Cl)cc1
InChIInChI=1S/C11H6BrClFNO/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H
InChIKeySBBKPHKJPHXSCF-UHFFFAOYSA-N
XLogP4.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine (CID 103583572) is 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine is Fc1ccc(Oc2ncc(Br)cc2Cl)cc1.
What is the InChIKey of 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine?
The InChIKey is SBBKPHKJPHXSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNO/c12-7-5-10(13)11(15-6-7)16-9-3-1-8(14)2-4-9/h1-6H.
What are the key properties of 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine?
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine has a molecular weight of 302.53 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine is sourced from PubChem (CID 103583572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).