2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine

C11H7BrClFN2 — CID 66000623

IUPAC2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)nc(Cl)c1F
InChIInChI=1S/C11H7BrClFN2/c1-6-9(14)10(13)16-11(15-6)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKeyYWEXPFHPASNBRM-UHFFFAOYSA-N
MW301.55 g/mol
LogP4.01
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine

2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine (PubChem CID 66000623) has the molecular formula C11H7BrClFN2 and a molecular weight of 301.55 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
PubChem CID66000623
Molecular FormulaC11H7BrClFN2
Molecular Weight301.55 g/mol
Exact Mass299.95
IUPAC Name2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)nc(Cl)c1F
InChIInChI=1S/C11H7BrClFN2/c1-6-9(14)10(13)16-11(15-6)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKeyYWEXPFHPASNBRM-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine (CID 66000623) is 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine is Cc1nc(-c2ccc(Br)cc2)nc(Cl)c1F.
What is the InChIKey of 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
The InChIKey is YWEXPFHPASNBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2/c1-6-9(14)10(13)16-11(15-6)7-2-4-8(12)5-3-7/h2-5H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine?
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine has a molecular weight of 301.55 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66000623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).