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

C12H8BrClFNO — CID 83269248

IUPAC4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C12H8BrClFNO/c1-7-6-16-12(14)5-11(7)17-8-2-3-10(15)9(13)4-8/h2-6H,1H3
InChIKeyILHBBNRHTNKZDH-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.74
Rot. Bonds2

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

4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine (PubChem CID 83269248) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
PubChem CID83269248
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C12H8BrClFNO/c1-7-6-16-12(14)5-11(7)17-8-2-3-10(15)9(13)4-8/h2-6H,1H3
InChIKeyILHBBNRHTNKZDH-UHFFFAOYSA-N
XLogP4.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
CID 83269918
4-(2-bromo-5-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83267100
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
2-chloro-5-methyl-4-phenoxypyridine
CID 83269011
2-chloro-4-(4-ethoxyphenoxy)-5-methylpyridine
CID 83268533
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 83269021
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
2-chloro-4-(3-iodophenoxy)-5-methylpyridine
CID 83267091
2-chloro-4-(3-ethoxyphenoxy)-5-methylpyridine
CID 83266855
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 83235153

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine (CID 83269248) is 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine is Cc1cnc(Cl)cc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine?
The InChIKey is ILHBBNRHTNKZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c1-7-6-16-12(14)5-11(7)17-8-2-3-10(15)9(13)4-8/h2-6H,1H3.
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine?
4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine has a molecular weight of 316.56 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine is sourced from PubChem (CID 83269248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).