2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine

C12H8BrF2NO — CID 163255149

IUPAC2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
SMILESFc1ccc(COc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C12H8BrF2NO/c13-11-5-10(3-4-12(11)15)17-7-9-2-1-8(14)6-16-9/h1-6H,7H2
InChIKeyOBMYPXBOORVGKR-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.70
Rot. Bonds3

About 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine

2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine (PubChem CID 163255149) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
PubChem CID163255149
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
SMILESFc1ccc(COc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C12H8BrF2NO/c13-11-5-10(3-4-12(11)15)17-7-9-2-1-8(14)6-16-9/h1-6H,7H2
InChIKeyOBMYPXBOORVGKR-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
CID 163255013
6-[(3-bromo-4-fluorophenoxy)methyl]pyridin-2-amine
CID 83234987
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
4-[(3-bromo-4-fluorophenoxy)methyl]pyridazine
CID 163255021
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
6-[(3-bromo-4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 163255214
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
5-fluoro-2-[(2-fluorophenoxy)methyl]pyridine
CID 123573054

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine?
The IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine (CID 163255149) is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine?
The canonical SMILES for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine is Fc1ccc(COc2ccc(F)c(Br)c2)nc1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine?
The InChIKey is OBMYPXBOORVGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-11-5-10(3-4-12(11)15)17-7-9-2-1-8(14)6-16-9/h1-6H,7H2.
What are the key properties of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine?
2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine has a molecular weight of 300.10 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine is sourced from PubChem (CID 163255149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).