5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine

C11H8BrClN2O2 — CID 106999196

IUPAC5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2cccc(Cl)c2)ncc1Br
InChIInChI=1S/C11H8BrClN2O2/c1-16-10-9(12)6-14-11(15-10)17-8-4-2-3-7(13)5-8/h2-6H,1H3
InChIKeyULGSFMDAIUCHRC-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.69
Rot. Bonds3

About 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine

5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine (PubChem CID 106999196) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
PubChem CID106999196
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2cccc(Cl)c2)ncc1Br
InChIInChI=1S/C11H8BrClN2O2/c1-16-10-9(12)6-14-11(15-10)17-8-4-2-3-7(13)5-8/h2-6H,1H3
InChIKeyULGSFMDAIUCHRC-UHFFFAOYSA-N
XLogP3.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714
5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 106999154
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine (CID 106999196) is 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine is COc1nc(Oc2cccc(Cl)c2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine?
The InChIKey is ULGSFMDAIUCHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-16-10-9(12)6-14-11(15-10)17-8-4-2-3-7(13)5-8/h2-6H,1H3.
What are the key properties of 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine?
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine has a molecular weight of 315.55 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine is sourced from PubChem (CID 106999196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).