5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine

C12H7BrCl2FNO — CID 116519513

IUPAC5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
SMILESFc1ccc(Br)c(OCc2cnc(Cl)cc2Cl)c1
InChIInChI=1S/C12H7BrCl2FNO/c13-9-2-1-8(16)3-11(9)18-6-7-5-17-12(15)4-10(7)14/h1-5H,6H2
InChIKeyLOSJVHCMYZARCU-UHFFFAOYSA-N
MW351.00 g/mol
LogP4.87
Rot. Bonds3

About 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine

5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine (PubChem CID 116519513) has the molecular formula C12H7BrCl2FNO and a molecular weight of 351.00 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
PubChem CID116519513
Molecular FormulaC12H7BrCl2FNO
Molecular Weight351.00 g/mol
Exact Mass348.91
IUPAC Name5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
SMILESFc1ccc(Br)c(OCc2cnc(Cl)cc2Cl)c1
InChIInChI=1S/C12H7BrCl2FNO/c13-9-2-1-8(16)3-11(9)18-6-7-5-17-12(15)4-10(7)14/h1-5H,6H2
InChIKeyLOSJVHCMYZARCU-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.00
LogP ≤ 54.87
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

2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
4-(2-bromo-5-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83267100
5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
CID 81496091
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
1-bromo-4-fluoro-2-[(2-iodophenyl)methoxy]benzene
CID 58564425
4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
CID 81496538
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810
3-[(2-bromo-5-fluorophenoxy)methyl]-2-fluoroaniline
CID 107347993

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine?
The IUPAC name of 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine (CID 116519513) is 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine?
The canonical SMILES for 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine is Fc1ccc(Br)c(OCc2cnc(Cl)cc2Cl)c1.
What is the InChIKey of 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine?
The InChIKey is LOSJVHCMYZARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO/c13-9-2-1-8(16)3-11(9)18-6-7-5-17-12(15)4-10(7)14/h1-5H,6H2.
What are the key properties of 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine?
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine has a molecular weight of 351.00 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine is sourced from PubChem (CID 116519513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).