4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine

C12H8BrClFNO — CID 81495867

IUPAC4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
SMILESFc1ccc(Br)c(OCc2ccnc(Cl)c2)c1
InChIInChI=1S/C12H8BrClFNO/c13-10-2-1-9(15)6-11(10)17-7-8-3-4-16-12(14)5-8/h1-6H,7H2
InChIKeyBJURLMLPKMDXIW-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.22
Rot. Bonds3

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

4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine (PubChem CID 81495867) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
PubChem CID81495867
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
SMILESFc1ccc(Br)c(OCc2ccnc(Cl)c2)c1
InChIInChI=1S/C12H8BrClFNO/c13-10-2-1-9(15)6-11(10)17-7-8-3-4-16-12(14)5-8/h1-6H,7H2
InChIKeyBJURLMLPKMDXIW-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.22
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-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
5-[(2-bromo-5-fluorophenoxy)methyl]-2,4-dichloropyridine
CID 116519513
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
CID 81496091
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
CID 81496538
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine?
The IUPAC name of 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine (CID 81495867) is 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine?
The canonical SMILES for 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine is Fc1ccc(Br)c(OCc2ccnc(Cl)c2)c1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine?
The InChIKey is BJURLMLPKMDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-10-2-1-9(15)6-11(10)17-7-8-3-4-16-12(14)5-8/h1-6H,7H2.
What are the key properties of 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine?
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine has a molecular weight of 316.56 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine is sourced from PubChem (CID 81495867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).