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

C13H11BrFNO2 — CID 114084375

IUPAC3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine
SMILESCOc1ccc(OCc2cncc(F)c2)c(Br)c1
InChIInChI=1S/C13H11BrFNO2/c1-17-11-2-3-13(12(14)5-11)18-8-9-4-10(15)7-16-6-9/h2-7H,8H2,1H3
InChIKeyNLBNJVJCFTXQOP-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.57
Rot. Bonds4

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

3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine (PubChem CID 114084375) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine
PubChem CID114084375
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine
SMILESCOc1ccc(OCc2cncc(F)c2)c(Br)c1
InChIInChI=1S/C13H11BrFNO2/c1-17-11-2-3-13(12(14)5-11)18-8-9-4-10(15)7-16-6-9/h2-7H,8H2,1H3
InChIKeyNLBNJVJCFTXQOP-UHFFFAOYSA-N
XLogP3.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
CID 104707269
3-bromo-5-[(5-methoxy-2-nitrophenoxy)methyl]pyridine
CID 102703224
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine?
The IUPAC name of 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine (CID 114084375) is 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine?
The canonical SMILES for 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine is COc1ccc(OCc2cncc(F)c2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine?
The InChIKey is NLBNJVJCFTXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-17-11-2-3-13(12(14)5-11)18-8-9-4-10(15)7-16-6-9/h2-7H,8H2,1H3.
What are the key properties of 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine?
3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine has a molecular weight of 312.14 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methoxyphenoxy)methyl]-5-fluoropyridine is sourced from PubChem (CID 114084375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).