2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine

C11H6BrCl2FN2 — CID 66160468

IUPAC2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2Br)nc(Cl)c1F
InChIInChI=1S/C11H6BrCl2FN2/c1-5-9(15)10(14)17-11(16-5)7-4-6(13)2-3-8(7)12/h2-4H,1H3
InChIKeyKAZQBWMGJYQMBH-UHFFFAOYSA-N
MW335.99 g/mol
LogP4.66
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine

2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine (PubChem CID 66160468) has the molecular formula C11H6BrCl2FN2 and a molecular weight of 335.99 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
PubChem CID66160468
Molecular FormulaC11H6BrCl2FN2
Molecular Weight335.99 g/mol
Exact Mass333.91
IUPAC Name2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2Br)nc(Cl)c1F
InChIInChI=1S/C11H6BrCl2FN2/c1-5-9(15)10(14)17-11(16-5)7-4-6(13)2-3-8(7)12/h2-4H,1H3
InChIKeyKAZQBWMGJYQMBH-UHFFFAOYSA-N
XLogP4.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.99
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine (CID 66160468) is 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine is Cc1nc(-c2cc(Cl)ccc2Br)nc(Cl)c1F.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
The InChIKey is KAZQBWMGJYQMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FN2/c1-5-9(15)10(14)17-11(16-5)7-4-6(13)2-3-8(7)12/h2-4H,1H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine has a molecular weight of 335.99 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66160468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).