5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine

Name: 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₀BrFN₂O — CID 118119650

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine

SMILESCc1ncc(COc2cc(Br)ccc2F)cn1

InChIInChI=1S/C12H10BrFN2O/c1-8-15-5-9(6-16-8)7-17-12-4-10(13)2-3-11(12)14/h2-6H,7H2,1H3

InChIKeyVGGDACKISHLAEJ-UHFFFAOYSA-N

MW297.13 g/mol

LogP3.27

Rot. Bonds3

About 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine

5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine (PubChem CID 118119650) has the molecular formula C₁₂H₁₀BrFN₂O and a molecular weight of 297.13 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name	5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine
PubChem CID	118119650
Molecular Formula	C₁₂H₁₀BrFN₂O
Molecular Weight	297.13 g/mol
Exact Mass	296.00
IUPAC Name	5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine
SMILES	Cc1ncc(COc2cc(Br)ccc2F)cn1
InChI	InChI=1S/C12H10BrFN2O/c1-8-15-5-9(6-16-8)7-17-12-4-10(13)2-3-11(12)14/h2-6H,7H2,1H3
InChIKey	VGGDACKISHLAEJ-UHFFFAOYSA-N
XLogP	3.27
TPSA	35.01 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.13
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?

The IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine (CID 118119650) is 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine.

What is the SMILES notation for 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?

The canonical SMILES for 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine is Cc1ncc(COc2cc(Br)ccc2F)cn1.

What is the InChIKey of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?

The InChIKey is VGGDACKISHLAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-8-15-5-9(6-16-8)7-17-12-4-10(13)2-3-11(12)14/h2-6H,7H2,1H3.

What are the key properties of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?

5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine has a molecular weight of 297.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine is sourced from PubChem (CID 118119650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118119650 — identifiers, structure, computed properties (public domain)

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