2-(3-bromophenyl)-4-chloro-6-methylpyrimidine

C11H8BrClN2 — CID 43557486

IUPAC2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrClN2/c1-7-5-10(13)15-11(14-7)8-3-2-4-9(12)6-8/h2-6H,1H3
InChIKeyOVRBQQJDOPGAPE-UHFFFAOYSA-N
MW283.56 g/mol
LogP3.87
Rot. Bonds1

About 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine

2-(3-bromophenyl)-4-chloro-6-methylpyrimidine (PubChem CID 43557486) has the molecular formula C11H8BrClN2 and a molecular weight of 283.56 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
PubChem CID43557486
Molecular FormulaC11H8BrClN2
Molecular Weight283.56 g/mol
Exact Mass281.96
IUPAC Name2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C11H8BrClN2/c1-7-5-10(13)15-11(14-7)8-3-2-4-9(12)6-8/h2-6H,1H3
InChIKeyOVRBQQJDOPGAPE-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine (CID 43557486) is 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine is Cc1cc(Cl)nc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine?
The InChIKey is OVRBQQJDOPGAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2/c1-7-5-10(13)15-11(14-7)8-3-2-4-9(12)6-8/h2-6H,1H3.
What are the key properties of 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine?
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine has a molecular weight of 283.56 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 43557486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).