2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine

C16H12BrN3O — CID 14458730

IUPAC2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(Oc3ccc(Br)cc3)n2)n1
InChIInChI=1S/C16H12BrN3O/c1-11-9-10-18-16(19-11)14-3-2-4-15(20-14)21-13-7-5-12(17)6-8-13/h2-10H,1H3
InChIKeyUZVUOQXQZCNXBK-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.40
Rot. Bonds3

About 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine

2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine (PubChem CID 14458730) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
PubChem CID14458730
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(Oc3ccc(Br)cc3)n2)n1
InChIInChI=1S/C16H12BrN3O/c1-11-9-10-18-16(19-11)14-3-2-4-15(20-14)21-13-7-5-12(17)6-8-13/h2-10H,1H3
InChIKeyUZVUOQXQZCNXBK-UHFFFAOYSA-N
XLogP4.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[6-(4-propan-2-ylphenoxy)-2-pyridinyl]pyrimidine
CID 14458745
4-methyl-2-[6-(3-methylphenoxy)-2-pyridinyl]pyrimidine
CID 14458737
2-[6-(2-methoxyphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458749
2-[6-(2,4-dimethylphenoxy)-2-pyridinyl]-4-methylpyrimidine
CID 14458740
2-(4-bromophenoxy)-4-methylpyrimidine
CID 62958719
4-methyl-2-[6-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-pyridinyl]pyrimidine
CID 139724258
4-methyl-2-(6-propyl-2-pyridinyl)pyrimidine
CID 14253099
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
2-methyl-6-(4-methylsulfanylphenoxy)pyridine
CID 123742413
2-(4-chlorophenoxy)-6-methylpyridine;ethane
CID 168898019
2-(6-butyl-2-pyridinyl)-4-methylpyrimidine
CID 14253092
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine (CID 14458730) is 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine is Cc1ccnc(-c2cccc(Oc3ccc(Br)cc3)n2)n1.
What is the InChIKey of 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is UZVUOQXQZCNXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-11-9-10-18-16(19-11)14-3-2-4-15(20-14)21-13-7-5-12(17)6-8-13/h2-10H,1H3.
What are the key properties of 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine?
2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 342.20 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenoxy)-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 14458730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).