5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine

C11H6BrCl2N3O4 — CID 107501354

IUPAC5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])ncc1Br
InChIInChI=1S/C11H6BrCl2N3O4/c1-20-10-5(12)4-15-11(16-10)21-9-3-7(14)6(13)2-8(9)17(18)19/h2-4H,1H3
InChIKeyDNSNSSFTNXBETI-UHFFFAOYSA-N
MW395.00 g/mol
LogP4.26
Rot. Bonds4

About 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine

5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine (PubChem CID 107501354) has the molecular formula C11H6BrCl2N3O4 and a molecular weight of 395.00 g/mol. Its IUPAC name is 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
PubChem CID107501354
Molecular FormulaC11H6BrCl2N3O4
Molecular Weight395.00 g/mol
Exact Mass392.89
IUPAC Name5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine
SMILESCOc1nc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])ncc1Br
InChIInChI=1S/C11H6BrCl2N3O4/c1-20-10-5(12)4-15-11(16-10)21-9-3-7(14)6(13)2-8(9)17(18)19/h2-4H,1H3
InChIKeyDNSNSSFTNXBETI-UHFFFAOYSA-N
XLogP4.26
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.00
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-chloro-4-nitrophenoxy)-4-methoxypyrimidine
CID 106999309
[5-bromo-4-(4,5-dichloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107501836
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
2-bromo-5-(4,5-dichloro-2-nitrophenoxy)-1,3-dimethylbenzene
CID 107724167
5-chloro-4-(4,5-dichloro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 107501326
1-(3-bromo-4-fluorophenoxy)-4,5-dichloro-2-nitrobenzene
CID 83234613
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine (CID 107501354) is 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine is COc1nc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])ncc1Br.
What is the InChIKey of 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine?
The InChIKey is DNSNSSFTNXBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O4/c1-20-10-5(12)4-15-11(16-10)21-9-3-7(14)6(13)2-8(9)17(18)19/h2-4H,1H3.
What are the key properties of 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine?
5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine has a molecular weight of 395.00 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,5-dichloro-2-nitrophenoxy)-4-methoxypyrimidine is sourced from PubChem (CID 107501354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).